N-benzyl-2-bromo-2,2-difluoroacetamide

C9H8BrF2NO — CID 86212006

IUPACN-benzyl-2-bromo-2,2-difluoroacetamide
SMILESO=C(NCc1ccccc1)C(F)(F)Br
InChIInChI=1S/C9H8BrF2NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyFVNLXKRZPJQKCA-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.29
Rot. Bonds3

About N-benzyl-2-bromo-2,2-difluoroacetamide

N-benzyl-2-bromo-2,2-difluoroacetamide (PubChem CID 86212006) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is N-benzyl-2-bromo-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-2,2-difluoroacetamide
PubChem CID86212006
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC NameN-benzyl-2-bromo-2,2-difluoroacetamide
SMILESO=C(NCc1ccccc1)C(F)(F)Br
InChIInChI=1S/C9H8BrF2NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyFVNLXKRZPJQKCA-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
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N-benzyl-2-methyl-2-(methylamino)propanamide
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(2R,3R)-N-benzyl-2,3-difluoro-2-methylpentanamide
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(2S,3R)-N-benzyl-2-bromo-2-fluoro-3-hydroxyoctanamide
CID 71740857
(2S,4R)-N-benzyl-5,5,5-trifluoro-2,4-dihydroxy-2-methylpentanamide
CID 121376746
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
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methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-2,2-difluoroacetamide?
The IUPAC name of N-benzyl-2-bromo-2,2-difluoroacetamide (CID 86212006) is N-benzyl-2-bromo-2,2-difluoroacetamide.
What is the SMILES notation for N-benzyl-2-bromo-2,2-difluoroacetamide?
The canonical SMILES for N-benzyl-2-bromo-2,2-difluoroacetamide is O=C(NCc1ccccc1)C(F)(F)Br.
What is the InChIKey of N-benzyl-2-bromo-2,2-difluoroacetamide?
The InChIKey is FVNLXKRZPJQKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14).
What are the key properties of N-benzyl-2-bromo-2,2-difluoroacetamide?
N-benzyl-2-bromo-2,2-difluoroacetamide has a molecular weight of 264.07 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-2,2-difluoroacetamide is sourced from PubChem (CID 86212006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).