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

C17H17Cl2NO — CID 100605551

IUPAC3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C17H17Cl2NO/c1-11-4-3-5-16(12(11)2)20-17(21)9-7-13-6-8-14(18)10-15(13)19/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)
InChIKeyCVOBVGNFIMDZIU-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.18
Rot. Bonds4

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

3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 100605551) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID100605551
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C17H17Cl2NO/c1-11-4-3-5-16(12(11)2)20-17(21)9-7-13-6-8-14(18)10-15(13)19/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)
InChIKeyCVOBVGNFIMDZIU-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-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
CID 109006897
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-(N-acetyl-2,5-dichloroanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134010
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691373
3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 100606198
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
CID 5177833

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide (CID 100605551) is 3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is CVOBVGNFIMDZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-11-4-3-5-16(12(11)2)20-17(21)9-7-13-6-8-14(18)10-15(13)19/h3-6,8,10H,7,9H2,1-2H3,(H,20,21).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide?
3-(2,4-dichlorophenyl)-N-(2,3-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-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 100605551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).