76Y

1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide

Created:	2016-09-08
Last modified:	2017-01-11

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2 entries where 76Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	11

2D diagram of 76Y

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Chemical Component Summary
Name	1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
Formula	C₁₂ H₁₁ Cl N₂ O
Molecular Weight	234.682
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1cccn1Cc2ccccc2Cl
SMILES	OpenEye OEToolkits	2.0.5	c1ccc(c(c1)Cn2cccc2C(=O)N)Cl
Canonical SMILES	CACTVS	3.385	NC(=O)c1cccn1Cc2ccccc2Cl
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc(c(c1)Cn2cccc2C(=O)N)Cl
InChI	InChI	1.03	InChI=1S/C12H11ClN2O/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(15)12(14)16/h1-7H,8H2,(H2,14,16)
InChIKey	InChI	1.03	FNWQVYIDFQBAEE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3239748
ChEMBL	CHEMBL1441956

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