3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide

C17H16Cl3NO3 — CID 51057579

IUPAC3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OC
InChIInChI=1S/C17H16Cl3NO3/c1-23-15-8-10(7-13(20)17(15)24-2)3-6-16(22)21-14-5-4-11(18)9-12(14)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)
InChIKeyDOYBDRYDMBGDSG-UHFFFAOYSA-N
MW388.68 g/mol
LogP5.24
Rot. Bonds6

About 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide

3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide (PubChem CID 51057579) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide
PubChem CID51057579
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC Name3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OC
InChIInChI=1S/C17H16Cl3NO3/c1-23-15-8-10(7-13(20)17(15)24-2)3-6-16(22)21-14-5-4-11(18)9-12(14)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)
InChIKeyDOYBDRYDMBGDSG-UHFFFAOYSA-N
XLogP5.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
[2-(2-aminoacetyl)oxy-4-[3-(2,4-dichloroanilino)-3-oxopropyl]phenyl] 2-aminoacetate
CID 54264965
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 28631937
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide (CID 51057579) is 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide is COc1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is DOYBDRYDMBGDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO3/c1-23-15-8-10(7-13(20)17(15)24-2)3-6-16(22)21-14-5-4-11(18)9-12(14)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide?
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 388.68 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 51057579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).