2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide

C11H12BrF2NO — CID 107904260

IUPAC2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C11H12BrF2NO/c1-7(12)11(16)15(2)6-8-3-4-9(13)5-10(8)14/h3-5,7H,6H2,1-2H3
InChIKeyLELFVBXHCGCAHT-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.71
Rot. Bonds3

About 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide

2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide (PubChem CID 107904260) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
PubChem CID107904260
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C11H12BrF2NO/c1-7(12)11(16)15(2)6-8-3-4-9(13)5-10(8)14/h3-5,7H,6H2,1-2H3
InChIKeyLELFVBXHCGCAHT-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 134046656
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837784
3-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 117042209
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide (CID 107904260) is 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide is CC(Br)C(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is LELFVBXHCGCAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-7(12)11(16)15(2)6-8-3-4-9(13)5-10(8)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide?
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 292.12 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 107904260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).