N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide

C18H19Cl2NO3 — CID 9082319

IUPACN-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc(OC)c1
InChIInChI=1S/C18H19Cl2NO3/c1-23-15-7-12(8-16(10-15)24-2)3-6-18(22)21-11-13-4-5-14(19)9-17(13)20/h4-5,7-10H,3,6,11H2,1-2H3,(H,21,22)
InChIKeyXXWGOZGKKCNLAB-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.26
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide

N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide (PubChem CID 9082319) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
PubChem CID9082319
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc(OC)c1
InChIInChI=1S/C18H19Cl2NO3/c1-23-15-7-12(8-16(10-15)24-2)3-6-18(22)21-11-13-4-5-14(19)9-17(13)20/h4-5,7-10H,3,6,11H2,1-2H3,(H,21,22)
InChIKeyXXWGOZGKKCNLAB-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
CID 2712591
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide (CID 9082319) is N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc(OC)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is XXWGOZGKKCNLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-23-15-7-12(8-16(10-15)24-2)3-6-18(22)21-11-13-4-5-14(19)9-17(13)20/h4-5,7-10H,3,6,11H2,1-2H3,(H,21,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide?
N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 368.26 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 9082319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).