2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid

C16H12N2O4 — CID 43823296

IUPAC2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12N2O4/c19-14-6-5-10(8-11(14)16(21)22)17-15(20)13-7-9-3-1-2-4-12(9)18-13/h1-8,18-19H,(H,17,20)(H,21,22)
InChIKeyFCECAZUCVSOGAB-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.82
Rot. Bonds3

About 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid

2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid (PubChem CID 43823296) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
PubChem CID43823296
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12N2O4/c19-14-6-5-10(8-11(14)16(21)22)17-15(20)13-7-9-3-1-2-4-12(9)18-13/h1-8,18-19H,(H,17,20)(H,21,22)
InChIKeyFCECAZUCVSOGAB-UHFFFAOYSA-N
XLogP2.82
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481756
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
CID 43823307
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453
5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide
CID 164610325
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid (CID 43823296) is 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid?
The InChIKey is FCECAZUCVSOGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14-6-5-10(8-11(14)16(21)22)17-15(20)13-7-9-3-1-2-4-12(9)18-13/h1-8,18-19H,(H,17,20)(H,21,22).
What are the key properties of 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid?
2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid has a molecular weight of 296.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid is sourced from PubChem (CID 43823296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).