2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide

C12H12ClN3O2 — CID 175262677

IUPAC2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cc(-c2cc(C(N)=O)c(N)[nH]2)ccc1Cl
InChIInChI=1S/C12H12ClN3O2/c1-18-10-4-6(2-3-8(10)13)9-5-7(12(15)17)11(14)16-9/h2-5,16H,14H2,1H3,(H2,15,17)
InChIKeyOEZHCJQTQHZISN-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide

2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 175262677) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID175262677
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cc(-c2cc(C(N)=O)c(N)[nH]2)ccc1Cl
InChIInChI=1S/C12H12ClN3O2/c1-18-10-4-6(2-3-8(10)13)9-5-7(12(15)17)11(14)16-9/h2-5,16H,14H2,1H3,(H2,15,17)
InChIKeyOEZHCJQTQHZISN-UHFFFAOYSA-N
XLogP2.02
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
CID 86299303
2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide
CID 145464622
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide
CID 59285988
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
4-chloro-2-methoxybenzamide
CID 19741766
2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide
CID 107622922

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide (CID 175262677) is 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide is COc1cc(-c2cc(C(N)=O)c(N)[nH]2)ccc1Cl.
What is the InChIKey of 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is OEZHCJQTQHZISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-18-10-4-6(2-3-8(10)13)9-5-7(12(15)17)11(14)16-9/h2-5,16H,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 175262677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).