2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid

C24H22ClNO4 — CID 24958315

IUPAC2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
SMILESCc1cccc(COc2ccc(C)c(C(=O)Nc3ccc(CC(=O)O)cc3Cl)c2)c1
InChIInChI=1S/C24H22ClNO4/c1-15-4-3-5-18(10-15)14-30-19-8-6-16(2)20(13-19)24(29)26-22-9-7-17(11-21(22)25)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyCLQGBVKGZIEVIR-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.42
Rot. Bonds7

About 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid

2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid (PubChem CID 24958315) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
PubChem CID24958315
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
SMILESCc1cccc(COc2ccc(C)c(C(=O)Nc3ccc(CC(=O)O)cc3Cl)c2)c1
InChIInChI=1S/C24H22ClNO4/c1-15-4-3-5-18(10-15)14-30-19-8-6-16(2)20(13-19)24(29)26-22-9-7-17(11-21(22)25)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyCLQGBVKGZIEVIR-UHFFFAOYSA-N
XLogP5.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic 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

N-(2-chlorophenyl)-4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzamide
CID 995487
3-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]-5-[(2-methoxyacetyl)amino]benzoic acid
CID 9983512
3-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]-5-(propanoylamino)benzoic acid
CID 10028359
N-(2-Chloro-6-methylphenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide
CID 10068195
3-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]-5-(2-methylpropanoylamino)benzoic acid
CID 10413628
2-[4-chloro-3-[[2,6-dimethyl-4-[[(3R)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 11375038
2-[4-chloro-3-[[4-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methoxy]-2,6-dimethylbenzoyl]amino]phenyl]acetic acid
CID 11431240
2-[4-chloro-3-[[4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]-2,6-dimethylbenzoyl]amino]phenyl]acetic acid
CID 11465472
3-Acetamido-5-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid
CID 11754541
2-(3-Chloro-2''-methoxy-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 21084739
2-(2-Chloroanilino)-7-methoxy-10,11-dihydrodibenzo[a,d]-cyclohepten-5-one
CID 45280749
2-[4-chloro-3-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2,6-dimethylbenzoyl]amino]phenyl]acetic acid
CID 57396336

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid (CID 24958315) is 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid is Cc1cccc(COc2ccc(C)c(C(=O)Nc3ccc(CC(=O)O)cc3Cl)c2)c1.
What is the InChIKey of 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The InChIKey is CLQGBVKGZIEVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-15-4-3-5-18(10-15)14-30-19-8-6-16(2)20(13-19)24(29)26-22-9-7-17(11-21(22)25)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid has a molecular weight of 423.90 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 24958315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).