4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid

C16H14N2O3 — CID 115866991

IUPAC4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C16H14N2O3/c19-15(11-1-2-12-8-17-9-13(12)7-11)18-14-5-3-10(4-6-14)16(20)21/h1-7,17H,8-9H2,(H,18,19)(H,20,21)
InChIKeyTYROQVGXUUTAOP-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.24
Rot. Bonds3

About 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid

4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid (PubChem CID 115866991) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
PubChem CID115866991
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1
InChIInChI=1S/C16H14N2O3/c19-15(11-1-2-12-8-17-9-13(12)7-11)18-14-5-3-10(4-6-14)16(20)21/h1-7,17H,8-9H2,(H,18,19)(H,20,21)
InChIKeyTYROQVGXUUTAOP-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998750
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997882
N-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997874
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
2,3-dihydro-1H-isoindole-5-carboxylic acid;furan
CID 146222356
N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 165118046
(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998937
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 167876855

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid (CID 115866991) is 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid?
The InChIKey is TYROQVGXUUTAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(11-1-2-12-8-17-9-13(12)7-11)18-14-5-3-10(4-6-14)16(20)21/h1-7,17H,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid?
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 115866991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).