4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid

C16H14N2O4 — CID 15337628

IUPAC4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1
InChIInChI=1S/C16H14N2O4/c19-13-3-1-2-12-14(13)11(8-17-12)15(20)18-10-6-4-9(5-7-10)16(21)22/h4-8,17H,1-3H2,(H,18,20)(H,21,22)
InChIKeyLALPEYCYKSWWQY-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.48
Rot. Bonds3

About 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid

4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid (PubChem CID 15337628) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid
PubChem CID15337628
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1
InChIInChI=1S/C16H14N2O4/c19-13-3-1-2-12-14(13)11(8-17-12)15(20)18-10-6-4-9(5-7-10)16(21)22/h4-8,17H,1-3H2,(H,18,20)(H,21,22)
InChIKeyLALPEYCYKSWWQY-UHFFFAOYSA-N
XLogP2.48
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 59917838
N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 59983939
4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 18696540
methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane
CID 91352681
N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 22730890
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid
CID 1225770
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
4-(cyclohexene-1-carbonylamino)benzoic acid
CID 21486323
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid (CID 15337628) is 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1.
What is the InChIKey of 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid?
The InChIKey is LALPEYCYKSWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-13-3-1-2-12-14(13)11(8-17-12)15(20)18-10-6-4-9(5-7-10)16(21)22/h4-8,17H,1-3H2,(H,18,20)(H,21,22).
What are the key properties of 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid?
4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid has a molecular weight of 298.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 15337628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).