2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid

C27H23NO3 — CID 5311232

IUPAC2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid
SMILESCC(C(=O)Nc1ccccc1Cc1ccccc1C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C27H23NO3/c1-18(22-15-8-12-19-9-2-5-13-23(19)22)26(29)28-25-16-7-4-11-21(25)17-20-10-3-6-14-24(20)27(30)31/h2-16,18H,17H2,1H3,(H,28,29)(H,30,31)
InChIKeyBLJLWFKNTKAUDA-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.87
Rot. Bonds6

About 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid

2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid (PubChem CID 5311232) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid
PubChem CID5311232
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid
SMILESCC(C(=O)Nc1ccccc1Cc1ccccc1C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C27H23NO3/c1-18(22-15-8-12-19-9-2-5-13-23(19)22)26(29)28-25-16-7-4-11-21(25)17-20-10-3-6-14-24(20)27(30)31/h2-16,18H,17H2,1H3,(H,28,29)(H,30,31)
InChIKeyBLJLWFKNTKAUDA-UHFFFAOYSA-N
XLogP5.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]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

Naptalam
CID 8594
Tamibarotene
CID 108143
Ftaxilide
CID 71895
Ro 40-6055
CID 2126
Naptalam sodium
CID 23690427
Bibr 1532
CID 9927531
N-(p-Amylcinnamoyl)anthranilic acid
CID 5353376
Kartogenin
CID 2826191
4-[(1-Naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid
CID 307406
2-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acid
CID 98770
2-(1,3-Dioxo-1H,3H-benzo(DE)isoquinolin-2-YL)-benzoic acid
CID 690950
1,5-Bis(2-carboxyanilino)anthraquinone
CID 66490

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid?
The IUPAC name of 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid (CID 5311232) is 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid is CC(C(=O)Nc1ccccc1Cc1ccccc1C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid?
The InChIKey is BLJLWFKNTKAUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c1-18(22-15-8-12-19-9-2-5-13-23(19)22)26(29)28-25-16-7-4-11-21(25)17-20-10-3-6-14-24(20)27(30)31/h2-16,18H,17H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid?
2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid has a molecular weight of 409.49 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid is sourced from PubChem (CID 5311232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).