2-[(1-benzylindole-3-carbonyl)amino]benzoic acid

C23H18N2O3 — CID 172719935

IUPAC2-[(1-benzylindole-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H18N2O3/c26-22(24-20-12-6-4-11-18(20)23(27)28)19-15-25(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2,(H,24,26)(H,27,28)
InChIKeyGJFJUINGUMTXSK-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.64
Rot. Bonds5

About 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid

2-[(1-benzylindole-3-carbonyl)amino]benzoic acid (PubChem CID 172719935) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(1-benzylindole-3-carbonyl)amino]benzoic acid
PubChem CID172719935
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[(1-benzylindole-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H18N2O3/c26-22(24-20-12-6-4-11-18(20)23(27)28)19-15-25(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2,(H,24,26)(H,27,28)
InChIKeyGJFJUINGUMTXSK-UHFFFAOYSA-N
XLogP4.64
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid (CID 172719935) is 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid is O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid?
The InChIKey is GJFJUINGUMTXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-22(24-20-12-6-4-11-18(20)23(27)28)19-15-25(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2,(H,24,26)(H,27,28).
What are the key properties of 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid?
2-[(1-benzylindole-3-carbonyl)amino]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylindole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 172719935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).