2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid

C25H19NO4 — CID 10620813

IUPAC2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H19NO4/c27-24(26-23-8-4-3-7-22(23)25(28)29)19-11-9-17(10-12-19)16-30-21-14-13-18-5-1-2-6-20(18)15-21/h1-15H,16H2,(H,26,27)(H,28,29)
InChIKeyQQYJPVLTXFQSIE-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.37
Rot. Bonds6

About 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid

2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid (PubChem CID 10620813) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid
PubChem CID10620813
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H19NO4/c27-24(26-23-8-4-3-7-22(23)25(28)29)19-11-9-17(10-12-19)16-30-21-14-13-18-5-1-2-6-20(18)15-21/h1-15H,16H2,(H,26,27)(H,28,29)
InChIKeyQQYJPVLTXFQSIE-UHFFFAOYSA-N
XLogP5.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]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

Related Compounds

Tranilast
CID 5282230
beta-NAPHTHYL ANTHRANILATE
CID 62217
4'-Ethoxy-3-hydroxy-2-naphthanilide
CID 78443
3-Hydroxy-2-naphtho-o-phenetidide
CID 66716
N-(3',4'-dimethoxycinnamoyl)anthranilic acid
CID 5527
Asengeprast
CID 23648966
5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate
CID 209910
2-[(3-Phenoxy-4-phenylbenzene)amido]benzoic acid
CID 11177309
2-[3-[4-(2-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11595935
2-[3-[4-(4-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11617732
2-[3-[4-(3-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11646494
2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic Acid
CID 950383

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid (CID 10620813) is 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(COc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid?
The InChIKey is QQYJPVLTXFQSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c27-24(26-23-8-4-3-7-22(23)25(28)29)19-11-9-17(10-12-19)16-30-21-14-13-18-5-1-2-6-20(18)15-21/h1-15H,16H2,(H,26,27)(H,28,29).
What are the key properties of 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid?
2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid has a molecular weight of 397.43 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(naphthalen-2-yloxymethyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 10620813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).