3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid

C15H14N2O4 — CID 43350862

IUPAC3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCC(=O)c1cc(C(=O)Nc2cccc(C(=O)O)c2)n(C)c1
InChIInChI=1S/C15H14N2O4/c1-9(18)11-7-13(17(2)8-11)14(19)16-12-5-3-4-10(6-12)15(20)21/h3-8H,1-2H3,(H,16,19)(H,20,21)
InChIKeyZOUFGZZXCDKBFU-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.18
Rot. Bonds4

About 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid

3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 43350862) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID43350862
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCC(=O)c1cc(C(=O)Nc2cccc(C(=O)O)c2)n(C)c1
InChIInChI=1S/C15H14N2O4/c1-9(18)11-7-13(17(2)8-11)14(19)16-12-5-3-4-10(6-12)15(20)21/h3-8H,1-2H3,(H,16,19)(H,20,21)
InChIKeyZOUFGZZXCDKBFU-UHFFFAOYSA-N
XLogP2.18
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 63643592
3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510399
N-(3-acetylphenyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693091
4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 51257940
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
3-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)amino]benzoic acid
CID 43640030
3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467287
4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43540428
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide
CID 99773603
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid (CID 43350862) is 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid is CC(=O)c1cc(C(=O)Nc2cccc(C(=O)O)c2)n(C)c1.
What is the InChIKey of 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is ZOUFGZZXCDKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(18)11-7-13(17(2)8-11)14(19)16-12-5-3-4-10(6-12)15(20)21/h3-8H,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid?
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43350862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).