4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide

C12H16Cl2N2O — CID 65297365

IUPAC4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
SMILESCC(C)(CC(N)c1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,11(16)17)6-10(15)7-3-4-8(13)9(14)5-7/h3-5,10H,6,15H2,1-2H3,(H2,16,17)
InChIKeyURJYKAXBKLVZNW-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.89
Rot. Bonds4

About 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide

4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide (PubChem CID 65297365) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
PubChem CID65297365
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
SMILESCC(C)(CC(N)c1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,11(16)17)6-10(15)7-3-4-8(13)9(14)5-7/h3-5,10H,6,15H2,1-2H3,(H2,16,17)
InChIKeyURJYKAXBKLVZNW-UHFFFAOYSA-N
XLogP2.89
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide
CID 113319108
1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024800
ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate
CID 62932808
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
CID 79736256
4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide
CID 80532114
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide (CID 65297365) is 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide is CC(C)(CC(N)c1ccc(Cl)c(Cl)c1)C(N)=O.
What is the InChIKey of 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide?
The InChIKey is URJYKAXBKLVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-12(2,11(16)17)6-10(15)7-3-4-8(13)9(14)5-7/h3-5,10H,6,15H2,1-2H3,(H2,16,17).
What are the key properties of 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide?
4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide has a molecular weight of 275.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 65297365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).