3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide

C10H12BrFN2O — CID 107625700

IUPAC3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-6(5-13)10(15)14-9-4-7(12)2-3-8(9)11/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyDLHVWCHJJNJIEL-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.12
Rot. Bonds3

About 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide

3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide (PubChem CID 107625700) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
PubChem CID107625700
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-6(5-13)10(15)14-9-4-7(12)2-3-8(9)11/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyDLHVWCHJJNJIEL-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
(2-bromo-5-fluorophenyl)urea
CID 99639427
3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 62815213
5-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 107628919
2-[(2-bromo-5-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107629030
1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 75379402

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide (CID 107625700) is 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide is CC(CN)C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide?
The InChIKey is DLHVWCHJJNJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-6(5-13)10(15)14-9-4-7(12)2-3-8(9)11/h2-4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide?
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide has a molecular weight of 275.12 g/mol, XLogP of 2.12, 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-5-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 107625700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).