N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide

C17H18Cl2N2O — CID 109035406

IUPACN-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide
SMILESCc1ccc(C)c(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O/c1-11-3-4-12(2)16(7-11)20-6-5-17(22)21-15-9-13(18)8-14(19)10-15/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22)
InChIKeyTZJAAJWSYZAOHS-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.05
Rot. Bonds5

About N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide

N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide (PubChem CID 109035406) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide
PubChem CID109035406
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide
SMILESCc1ccc(C)c(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O/c1-11-3-4-12(2)16(7-11)20-6-5-17(22)21-15-9-13(18)8-14(19)10-15/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22)
InChIKeyTZJAAJWSYZAOHS-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
CID 109036245
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide (CID 109035406) is N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide is Cc1ccc(C)c(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide?
The InChIKey is TZJAAJWSYZAOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-11-3-4-12(2)16(7-11)20-6-5-17(22)21-15-9-13(18)8-14(19)10-15/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22).
What are the key properties of N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide?
N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide has a molecular weight of 337.25 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide is sourced from PubChem (CID 109035406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).