3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide

C11H14BrFN2O — CID 115426126

IUPAC3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O/c1-11(2,6-14)10(16)15-9-4-3-7(13)5-8(9)12/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyOMPHLKORQSFWRT-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.51
Rot. Bonds3

About 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide

3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 115426126) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID115426126
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O/c1-11(2,6-14)10(16)15-9-4-3-7(13)5-8(9)12/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyOMPHLKORQSFWRT-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
CID 107471101
(2-bromo-4-fluorophenyl)urea
CID 28939155
3-[(3-amino-2,2-dimethylpropanoyl)amino]-4-bromobenzoic acid
CID 107813469
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
CID 115426300
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
3-chloro-N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 63679959
ethyl 2-[(2-bromo-4-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537726
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide (CID 115426126) is 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide is CC(C)(CN)C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is OMPHLKORQSFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-11(2,6-14)10(16)15-9-4-3-7(13)5-8(9)12/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide?
3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 289.15 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 115426126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).