3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen

C25H24ClNO4 — CID 159727506

IUPAC3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C(=O)O)cc4Cl)c3)CC2)cc1.[H][H]
InChIInChI=1S/C25H22ClNO4.H2/c1-15-3-7-18(14-21(15)20-10-4-16(23(28)29)13-22(20)26)27-24(30)25(11-12-25)17-5-8-19(31-2)9-6-17;/h3-10,13-14H,11-12H2,1-2H3,(H,27,30)(H,28,29);1H
InChIKeyNAUYUTOZHYSBCZ-UHFFFAOYSA-N
MW437.92 g/mol
LogP5.94
Rot. Bonds6

About 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen

3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen (PubChem CID 159727506) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen.

Molecular Properties

Compound Name3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen
PubChem CID159727506
Molecular FormulaC25H24ClNO4
Molecular Weight437.92 g/mol
Exact Mass437.14
IUPAC Name3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C(=O)O)cc4Cl)c3)CC2)cc1.[H][H]
InChIInChI=1S/C25H22ClNO4.H2/c1-15-3-7-18(14-21(15)20-10-4-16(23(28)29)13-22(20)26)27-24(30)25(11-12-25)17-5-8-19(31-2)9-6-17;/h3-10,13-14H,11-12H2,1-2H3,(H,27,30)(H,28,29);1H
InChIKeyNAUYUTOZHYSBCZ-UHFFFAOYSA-N
XLogP5.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.92
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen 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-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
3-[5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-4-methoxybenzoic acid
CID 71174148
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzoic acid
CID 59206059
4-[5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzoic acid
CID 59206759
3-[5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-4-methoxybenzoic acid
CID 59206871
N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 158054063
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668870
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-4-fluorobenzoic acid
CID 59206233
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzene-1,3-dicarboxylic acid;molecular hydrogen
CID 161430344

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen?
The IUPAC name of 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen (CID 159727506) is 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen.
What is the SMILES notation for 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen?
The canonical SMILES for 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen is COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C(=O)O)cc4Cl)c3)CC2)cc1.[H][H].
What is the InChIKey of 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen?
The InChIKey is NAUYUTOZHYSBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4.H2/c1-15-3-7-18(14-21(15)20-10-4-16(23(28)29)13-22(20)26)27-24(30)25(11-12-25)17-5-8-19(31-2)9-6-17;/h3-10,13-14H,11-12H2,1-2H3,(H,27,30)(H,28,29);1H.
What are the key properties of 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen?
3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen has a molecular weight of 437.92 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen is sourced from PubChem (CID 159727506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).