2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide

C11H14BrFN2O — CID 61219784

IUPAC2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1ccc(Br)cc1F)C(N)=O
InChIInChI=1S/C11H14BrFN2O/c1-11(2,10(14)16)15-6-7-3-4-8(12)5-9(7)13/h3-5,15H,6H2,1-2H3,(H2,14,16)
InChIKeyWNABAJIIIJDEFR-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.94
Rot. Bonds4

About 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide

2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide (PubChem CID 61219784) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide
PubChem CID61219784
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1ccc(Br)cc1F)C(N)=O
InChIInChI=1S/C11H14BrFN2O/c1-11(2,10(14)16)15-6-7-3-4-8(12)5-9(7)13/h3-5,15H,6H2,1-2H3,(H2,14,16)
InChIKeyWNABAJIIIJDEFR-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-fluorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911918
4-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]-3-bromobenzoic acid
CID 103242986
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259
3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol
CID 103768781
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
methyl 2-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentanoate
CID 43230998
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224288
3-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949915

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide (CID 61219784) is 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide is CC(C)(NCc1ccc(Br)cc1F)C(N)=O.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide?
The InChIKey is WNABAJIIIJDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-11(2,10(14)16)15-6-7-3-4-8(12)5-9(7)13/h3-5,15H,6H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide?
2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide has a molecular weight of 289.15 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 61219784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).