5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid

C18H14N2O4 — CID 59365027

IUPAC5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
SMILESCC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1
InChIInChI=1S/C18H14N2O4/c1-10(21)11-2-4-12(5-3-11)17(22)19-14-6-7-15-13(8-14)9-16(20-15)18(23)24/h2-9,20H,1H3,(H,19,22)(H,23,24)
InChIKeyOOKFGIBMRLKVKM-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.32
Rot. Bonds4

About 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid

5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid (PubChem CID 59365027) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
PubChem CID59365027
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
SMILESCC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1
InChIInChI=1S/C18H14N2O4/c1-10(21)11-2-4-12(5-3-11)17(22)19-14-6-7-15-13(8-14)9-16(20-15)18(23)24/h2-9,20H,1H3,(H,19,22)(H,23,24)
InChIKeyOOKFGIBMRLKVKM-UHFFFAOYSA-N
XLogP3.32
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
CID 134285576
N-(4-acetylphenyl)-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-1H-indole-2-carboxamide
CID 123401277
2-[(2-butan-2-yloxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-5-carboxylic acid
CID 70302632
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747054
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 86930444
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
4-acetyl-N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]benzamide
CID 89058760
2-N,5-N-bis[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 20755652
5-[(2-amino-3-phenylpropanoyl)amino]-1H-indole-2-carboxylic acid
CID 174951191

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid (CID 59365027) is 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid is CC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1.
What is the InChIKey of 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid?
The InChIKey is OOKFGIBMRLKVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10(21)11-2-4-12(5-3-11)17(22)19-14-6-7-15-13(8-14)9-16(20-15)18(23)24/h2-9,20H,1H3,(H,19,22)(H,23,24).
What are the key properties of 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid?
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 59365027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).