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

C23H16N2O4 — CID 172735825

IUPAC2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H16N2O4/c26-21(24-19-12-6-4-11-17(19)23(28)29)18-14-25(20-13-7-5-10-16(18)20)22(27)15-8-2-1-3-9-15/h1-14H,(H,24,26)(H,28,29)
InChIKeyIKOSYOWWZSKGPA-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.28
Rot. Bonds4

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

2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid (PubChem CID 172735825) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid
PubChem CID172735825
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H16N2O4/c26-21(24-19-12-6-4-11-17(19)23(28)29)18-14-25(20-13-7-5-10-16(18)20)22(27)15-8-2-1-3-9-15/h1-14H,(H,24,26)(H,28,29)
InChIKeyIKOSYOWWZSKGPA-UHFFFAOYSA-N
XLogP4.28
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid (CID 172735825) is 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid is O=C(O)c1ccccc1NC(=O)c1cn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid?
The InChIKey is IKOSYOWWZSKGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-21(24-19-12-6-4-11-17(19)23(28)29)18-14-25(20-13-7-5-10-16(18)20)22(27)15-8-2-1-3-9-15/h1-14H,(H,24,26)(H,28,29).
What are the key properties of 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid?
2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid has a molecular weight of 384.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzoylindole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 172735825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).