N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide

C17H17Cl2NO2 — CID 19220940

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-11-9-15(16(22-2)10-14(11)19)20-17(21)8-5-12-3-6-13(18)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21)
InChIKeyKKMLJWBFHDMPEH-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.88
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide (PubChem CID 19220940) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
PubChem CID19220940
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-11-9-15(16(22-2)10-14(11)19)20-17(21)8-5-12-3-6-13(18)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21)
InChIKeyKKMLJWBFHDMPEH-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191445
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 35987719
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide (CID 19220940) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide?
The InChIKey is KKMLJWBFHDMPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-11-9-15(16(22-2)10-14(11)19)20-17(21)8-5-12-3-6-13(18)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide has a molecular weight of 338.23 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide is sourced from PubChem (CID 19220940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).