2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid

C16H14N2O3 — CID 62230167

IUPAC2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C16H14N2O3/c19-15(20)13-7-3-4-8-14(13)17-16(21)18-9-11-5-1-2-6-12(11)10-18/h1-8H,9-10H2,(H,17,21)(H,19,20)
InChIKeyRAORWBNLIDUOLY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.93
Rot. Bonds2

About 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid

2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid (PubChem CID 62230167) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
PubChem CID62230167
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C16H14N2O3/c19-15(20)13-7-3-4-8-14(13)17-16(21)18-9-11-5-1-2-6-12(11)10-18/h1-8H,9-10H2,(H,17,21)(H,19,20)
InChIKeyRAORWBNLIDUOLY-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670631
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391
N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 123680742
N-[2-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71895877
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
2-[(4-naphthalen-1-ylpiperazine-1-carbonyl)amino]benzoic acid
CID 69295483
N-(2-acetylphenyl)pyrrolidine-1-carboxamide
CID 112724111
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960
CID 170843062
CID 170843062

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid?
The IUPAC name of 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid (CID 62230167) is 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid is O=C(O)c1ccccc1NC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid?
The InChIKey is RAORWBNLIDUOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(20)13-7-3-4-8-14(13)17-16(21)18-9-11-5-1-2-6-12(11)10-18/h1-8H,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid?
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid is sourced from PubChem (CID 62230167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).