3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide

C24H23Cl2NO3 — CID 58655143

IUPAC3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc(Cl)cc2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C24H23Cl2NO3/c1-29-22-13-19(9-12-24(28)27-15-17-7-10-20(25)11-8-17)21(26)14-23(22)30-16-18-5-3-2-4-6-18/h2-8,10-11,13-14H,9,12,15-16H2,1H3,(H,27,28)
InChIKeyRDJJLKATDKNLNB-UHFFFAOYSA-N
MW444.36 g/mol
LogP5.83
Rot. Bonds9

About 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide

3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 58655143) has the molecular formula C24H23Cl2NO3 and a molecular weight of 444.36 g/mol. Its IUPAC name is 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID58655143
Molecular FormulaC24H23Cl2NO3
Molecular Weight444.36 g/mol
Exact Mass443.11
IUPAC Name3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc(Cl)cc2)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C24H23Cl2NO3/c1-29-22-13-19(9-12-24(28)27-15-17-7-10-20(25)11-8-17)21(26)14-23(22)30-16-18-5-3-2-4-6-18/h2-8,10-11,13-14H,9,12,15-16H2,1H3,(H,27,28)
InChIKeyRDJJLKATDKNLNB-UHFFFAOYSA-N
XLogP5.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)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-(2-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 58655121
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine
CID 66529232
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 66529561
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 66529102
4-chloro-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 66539636
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
2-chloro-4-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]benzoic acid
CID 66539639

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide (CID 58655143) is 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide is COc1cc(CCC(=O)NCc2ccc(Cl)cc2)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is RDJJLKATDKNLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO3/c1-29-22-13-19(9-12-24(28)27-15-17-7-10-20(25)11-8-17)21(26)14-23(22)30-16-18-5-3-2-4-6-18/h2-8,10-11,13-14H,9,12,15-16H2,1H3,(H,27,28).
What are the key properties of 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide?
3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 444.36 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 58655143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).