3-(2,3-dihydroindole-1-carbonyl)benzoic acid

C16H13NO3 — CID 43452867

IUPAC3-(2,3-dihydroindole-1-carbonyl)benzoic acid
SMILESO=C(O)c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H13NO3/c18-15(12-5-3-6-13(10-12)16(19)20)17-9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H,19,20)
InChIKeyVCDGZQAWNIYLSN-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.59
Rot. Bonds2

About 3-(2,3-dihydroindole-1-carbonyl)benzoic acid

3-(2,3-dihydroindole-1-carbonyl)benzoic acid (PubChem CID 43452867) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)benzoic acid
PubChem CID43452867
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)benzoic acid
SMILESO=C(O)c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H13NO3/c18-15(12-5-3-6-13(10-12)16(19)20)17-9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H,19,20)
InChIKeyVCDGZQAWNIYLSN-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydroindole-1-carbonyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
CID 90104032
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)benzoic acid?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)benzoic acid (CID 43452867) is 3-(2,3-dihydroindole-1-carbonyl)benzoic acid.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)benzoic acid?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)benzoic acid is O=C(O)c1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)benzoic acid?
The InChIKey is VCDGZQAWNIYLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15(12-5-3-6-13(10-12)16(19)20)17-9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)benzoic acid?
3-(2,3-dihydroindole-1-carbonyl)benzoic acid has a molecular weight of 267.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)benzoic acid is sourced from PubChem (CID 43452867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).