N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide

C17H18Cl2N2O — CID 109035917

IUPACN-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11-4-3-5-12(2)17(11)20-9-8-16(22)21-15-10-13(18)6-7-14(15)19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyZKNHFDNSMYLXOG-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.05
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide

N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide (PubChem CID 109035917) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
PubChem CID109035917
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11-4-3-5-12(2)17(11)20-9-8-16(22)21-15-10-13(18)6-7-14(15)19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyZKNHFDNSMYLXOG-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

N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
methyl 4-chloro-3-[3-(2-ethyl-6-methylanilino)propanoylamino]benzoate
CID 109036674
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide (CID 109035917) is N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide is Cc1cccc(C)c1NCCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide?
The InChIKey is ZKNHFDNSMYLXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-11-4-3-5-12(2)17(11)20-9-8-16(22)21-15-10-13(18)6-7-14(15)19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide?
N-(2,5-dichlorophenyl)-3-(2,6-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-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 109035917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).