2-[(1-acetylindol-3-yl)amino]benzoic acid

C17H14N2O3 — CID 755475

IUPAC2-[(1-acetylindol-3-yl)amino]benzoic acid
SMILESCC(=O)n1cc(Nc2ccccc2C(=O)O)c2ccccc21
InChIInChI=1S/C17H14N2O3/c1-11(20)19-10-15(12-6-3-5-9-16(12)19)18-14-8-4-2-7-13(14)17(21)22/h2-10,18H,1H3,(H,21,22)
InChIKeyCQYUJQLWWXSHEK-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.74
Rot. Bonds3

About 2-[(1-acetylindol-3-yl)amino]benzoic acid

2-[(1-acetylindol-3-yl)amino]benzoic acid (PubChem CID 755475) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(1-acetylindol-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(1-acetylindol-3-yl)amino]benzoic acid
PubChem CID755475
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[(1-acetylindol-3-yl)amino]benzoic acid
SMILESCC(=O)n1cc(Nc2ccccc2C(=O)O)c2ccccc21
InChIInChI=1S/C17H14N2O3/c1-11(20)19-10-15(12-6-3-5-9-16(12)19)18-14-8-4-2-7-13(14)17(21)22/h2-10,18H,1H3,(H,21,22)
InChIKeyCQYUJQLWWXSHEK-UHFFFAOYSA-N
XLogP3.74
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
methyl 2-[[1-(4-phenylphenyl)indol-3-yl]amino]benzoate
CID 71023343
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852
2-(1-benzothiophen-3-ylamino)benzoic acid
CID 125468623
1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
CID 113207907
CID 170843062
CID 170843062
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113207871

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylindol-3-yl)amino]benzoic acid?
The IUPAC name of 2-[(1-acetylindol-3-yl)amino]benzoic acid (CID 755475) is 2-[(1-acetylindol-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(1-acetylindol-3-yl)amino]benzoic acid?
The canonical SMILES for 2-[(1-acetylindol-3-yl)amino]benzoic acid is CC(=O)n1cc(Nc2ccccc2C(=O)O)c2ccccc21.
What is the InChIKey of 2-[(1-acetylindol-3-yl)amino]benzoic acid?
The InChIKey is CQYUJQLWWXSHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(20)19-10-15(12-6-3-5-9-16(12)19)18-14-8-4-2-7-13(14)17(21)22/h2-10,18H,1H3,(H,21,22).
What are the key properties of 2-[(1-acetylindol-3-yl)amino]benzoic acid?
2-[(1-acetylindol-3-yl)amino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylindol-3-yl)amino]benzoic acid is sourced from PubChem (CID 755475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).