4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide

C12H16BrFN2O — CID 79736256

IUPAC4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
SMILESCC(C)(CC(N)c1ccc(F)c(Br)c1)C(N)=O
InChIInChI=1S/C12H16BrFN2O/c1-12(2,11(16)17)6-10(15)7-3-4-9(14)8(13)5-7/h3-5,10H,6,15H2,1-2H3,(H2,16,17)
InChIKeyQVBSEAZMIMCMPW-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.49
Rot. Bonds4

About 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide

4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide (PubChem CID 79736256) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
PubChem CID79736256
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
SMILESCC(C)(CC(N)c1ccc(F)c(Br)c1)C(N)=O
InChIInChI=1S/C12H16BrFN2O/c1-12(2,11(16)17)6-10(15)7-3-4-9(14)8(13)5-7/h3-5,10H,6,15H2,1-2H3,(H2,16,17)
InChIKeyQVBSEAZMIMCMPW-UHFFFAOYSA-N
XLogP2.49
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanoic acid
CID 79737356
5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide
CID 79735685
5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanoic acid
CID 79735686
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide
CID 113319108
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
CID 79736889
ethyl 4-amino-4-(3-bromo-4-fluorophenyl)butanoate
CID 79735551
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide (CID 79736256) is 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide is CC(C)(CC(N)c1ccc(F)c(Br)c1)C(N)=O.
What is the InChIKey of 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide?
The InChIKey is QVBSEAZMIMCMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-12(2,11(16)17)6-10(15)7-3-4-9(14)8(13)5-7/h3-5,10H,6,15H2,1-2H3,(H2,16,17).
What are the key properties of 4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide?
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide has a molecular weight of 303.18 g/mol, XLogP of 2.49, 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-bromo-4-fluorophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 79736256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).