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

C16H14N2O3 — CID 61190858

IUPAC2-(2,3-dihydroindole-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H14N2O3/c19-15(20)12-6-2-3-7-13(12)17-16(21)18-10-9-11-5-1-4-8-14(11)18/h1-8H,9-10H2,(H,17,21)(H,19,20)
InChIKeySEVISWFLUIXPLQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.98
Rot. Bonds2

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

2-(2,3-dihydroindole-1-carbonylamino)benzoic acid (PubChem CID 61190858) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonylamino)benzoic acid
PubChem CID61190858
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(2,3-dihydroindole-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H14N2O3/c19-15(20)12-6-2-3-7-13(12)17-16(21)18-10-9-11-5-1-4-8-14(11)18/h1-8H,9-10H2,(H,17,21)(H,19,20)
InChIKeySEVISWFLUIXPLQ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(Cyclohexylamino)benzoic acid
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(S)-4-(1-(1-(4-methylbenzyl)indoline-7-carboxamido)ethyl)benzoic acid
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2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]benzoic acid
CID 73890929
2-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-5-fluorobenzoic acid
CID 86304285
2-((3aS,6aR)-5-(2-(trifluoromethyl)phenyl)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamido)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid (CID 61190858) is 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid is O=C(O)c1ccccc1NC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid?
The InChIKey is SEVISWFLUIXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(20)12-6-2-3-7-13(12)17-16(21)18-10-9-11-5-1-4-8-14(11)18/h1-8H,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid?
2-(2,3-dihydroindole-1-carbonylamino)benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonylamino)benzoic acid is sourced from PubChem (CID 61190858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).