3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid

C24H17NO4 — CID 11794353

IUPAC3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(Oc3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C24H17NO4/c26-23(25-20-7-3-6-19(14-20)24(27)28)17-9-11-21(12-10-17)29-22-13-8-16-4-1-2-5-18(16)15-22/h1-15H,(H,25,26)(H,27,28)
InChIKeyIEZNMUQOSWIBTK-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.58
Rot. Bonds5

About 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid

3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid (PubChem CID 11794353) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid
PubChem CID11794353
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(Oc3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C24H17NO4/c26-23(25-20-7-3-6-19(14-20)24(27)28)17-9-11-21(12-10-17)29-22-13-8-16-4-1-2-5-18(16)15-22/h1-15H,(H,25,26)(H,27,28)
InChIKeyIEZNMUQOSWIBTK-UHFFFAOYSA-N
XLogP5.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid (CID 11794353) is 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(Oc3ccc4ccccc4c3)cc2)c1.
What is the InChIKey of 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid?
The InChIKey is IEZNMUQOSWIBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c26-23(25-20-7-3-6-19(14-20)24(27)28)17-9-11-21(12-10-17)29-22-13-8-16-4-1-2-5-18(16)15-22/h1-15H,(H,25,26)(H,27,28).
What are the key properties of 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid?
3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid has a molecular weight of 383.40 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-naphthalen-2-yloxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 11794353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).