3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide

C17H17Cl2NO — CID 100593249

IUPAC3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c1-11-4-3-5-12(2)17(11)20-16(21)9-7-13-6-8-14(18)15(19)10-13/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)
InChIKeyFMZNIGAEHSIJNX-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.18
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide

3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 100593249) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
PubChem CID100593249
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c1-11-4-3-5-12(2)17(11)20-16(21)9-7-13-6-8-14(18)15(19)10-13/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)
InChIKeyFMZNIGAEHSIJNX-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide
CID 99633619
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 100597681
methyl 3-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100595486
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 28713525
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide (CID 100593249) is 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is FMZNIGAEHSIJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-11-4-3-5-12(2)17(11)20-16(21)9-7-13-6-8-14(18)15(19)10-13/h3-6,8,10H,7,9H2,1-2H3,(H,20,21).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide?
3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 322.24 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 100593249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).