N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide

C15H22Cl2N2O — CID 119608340

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-10(2)15(3,9-18)19-14(20)7-5-11-4-6-12(16)8-13(11)17/h4,6,8,10H,5,7,9,18H2,1-3H3,(H,19,20)
InChIKeyZAWFQSCCDGGXKW-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.42
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide (PubChem CID 119608340) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
PubChem CID119608340
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-10(2)15(3,9-18)19-14(20)7-5-11-4-6-12(16)8-13(11)17/h4,6,8,10H,5,7,9,18H2,1-3H3,(H,19,20)
InChIKeyZAWFQSCCDGGXKW-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119606815
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115869909
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926441
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 119606020
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
CID 119607204
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 133225084
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81484637

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide (CID 119608340) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide is CC(C)C(C)(CN)NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is ZAWFQSCCDGGXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-10(2)15(3,9-18)19-14(20)7-5-11-4-6-12(16)8-13(11)17/h4,6,8,10H,5,7,9,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 317.26 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 119608340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).