3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide

C25H26ClN3O3 — CID 55958053

IUPAC3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1Cl
InChIInChI=1S/C25H26ClN3O3/c1-17-5-3-7-20(13-17)28-25(31)29-21-8-4-6-19(14-21)16-27-24(30)12-10-18-9-11-23(32-2)22(26)15-18/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyXUIUQFBFFYYXSN-UHFFFAOYSA-N
MW451.95 g/mol
LogP5.55
Rot. Bonds8

About 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide

3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide (PubChem CID 55958053) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
PubChem CID55958053
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1Cl
InChIInChI=1S/C25H26ClN3O3/c1-17-5-3-7-20(13-17)28-25(31)29-21-8-4-6-19(14-21)16-27-24(30)12-10-18-9-11-23(32-2)22(26)15-18/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyXUIUQFBFFYYXSN-UHFFFAOYSA-N
XLogP5.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide 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

3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55958052
1-N'-(3-chloro-4-methoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975139
4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide
CID 55958304
7-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]heptanamide;hydrochloride
CID 119719678
3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466173
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
tert-butyl N-[2-[3-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918491
3-[(3-chloro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163377
N-[(3-chloro-4-methoxyphenyl)methyl]-3-cyanopropanamide
CID 94690844
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide (CID 55958053) is 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide is COc1ccc(CCC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide?
The InChIKey is XUIUQFBFFYYXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-17-5-3-7-20(13-17)28-25(31)29-21-8-4-6-19(14-21)16-27-24(30)12-10-18-9-11-23(32-2)22(26)15-18/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,27,30)(H2,28,29,31).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide?
3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide has a molecular weight of 451.95 g/mol, XLogP of 5.55, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide is sourced from PubChem (CID 55958053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).