3-benzoyl-1H-indole-2-carboxylic acid

C16H11NO3 — CID 22917099

IUPAC3-benzoyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1C(=O)c1ccccc1
InChIInChI=1S/C16H11NO3/c18-15(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)17-14(13)16(19)20/h1-9,17H,(H,19,20)
InChIKeyOVHSFHFWGSKIPB-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.10
Rot. Bonds3

About 3-benzoyl-1H-indole-2-carboxylic acid

3-benzoyl-1H-indole-2-carboxylic acid (PubChem CID 22917099) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-benzoyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-benzoyl-1H-indole-2-carboxylic acid
PubChem CID22917099
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-benzoyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1C(=O)c1ccccc1
InChIInChI=1S/C16H11NO3/c18-15(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)17-14(13)16(19)20/h1-9,17H,(H,19,20)
InChIKeyOVHSFHFWGSKIPB-UHFFFAOYSA-N
XLogP3.10
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
benzoic acid;9H-carbazole
CID 162147282
phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
(3-ethenyl-1H-indol-2-yl)-phenylmethanone
CID 102499335
4-amino-3-benzoyl-1H-quinolin-2-one
CID 11737142
2-benzoyl-3-phenyl-1H-quinolin-4-one
CID 132534400
bis(3-hydroxy-1H-indol-2-yl)methanone
CID 151180929
9H-carbazole;carbonic acid
CID 67577328
(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone
CID 134938636
(2-amino-9H-carbazol-1-yl)-phenylmethanone
CID 154352677
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1H-indole-2-carboxylic acid?
The IUPAC name of 3-benzoyl-1H-indole-2-carboxylic acid (CID 22917099) is 3-benzoyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-benzoyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-benzoyl-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2ccccc2c1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-1H-indole-2-carboxylic acid?
The InChIKey is OVHSFHFWGSKIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)17-14(13)16(19)20/h1-9,17H,(H,19,20).
What are the key properties of 3-benzoyl-1H-indole-2-carboxylic acid?
3-benzoyl-1H-indole-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 22917099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).