4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C14H13ClN2O3 — CID 82881248

IUPAC4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)Cc2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C14H13ClN2O3/c1-8-13(14(19)20)11(7-16-8)17-12(18)6-9-4-2-3-5-10(9)15/h2-5,7,16H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyWXCUVFAVQGAQMM-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.86
Rot. Bonds4

About 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82881248) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82881248
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)Cc2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C14H13ClN2O3/c1-8-13(14(19)20)11(7-16-8)17-12(18)6-9-4-2-3-5-10(9)15/h2-5,7,16H,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyWXCUVFAVQGAQMM-UHFFFAOYSA-N
XLogP2.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877305
2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880342
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880268
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877147
4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82875969
2-methyl-4-(3-phenylprop-2-ynoylamino)-1H-pyrrole-3-carboxylic acid
CID 82881147
4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876405
2-methyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880336
2-(2-chlorophenyl)-N-(2-phenylphenyl)acetamide
CID 26727185
4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880580

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82881248) is 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)Cc2ccccc2Cl)c1C(=O)O.
What is the InChIKey of 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is WXCUVFAVQGAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-13(14(19)20)11(7-16-8)17-12(18)6-9-4-2-3-5-10(9)15/h2-5,7,16H,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82881248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).