4-bromo-N-(2,2-difluoroethyl)benzamide

C9H8BrF2NO — CID 79079579

IUPAC4-bromo-N-(2,2-difluoroethyl)benzamide
SMILESO=C(NCC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrF2NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-4,8H,5H2,(H,13,14)
InChIKeyZPYYJFCXGVBGRQ-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.44
Rot. Bonds3

About 4-bromo-N-(2,2-difluoroethyl)benzamide

4-bromo-N-(2,2-difluoroethyl)benzamide (PubChem CID 79079579) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 4-bromo-N-(2,2-difluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-difluoroethyl)benzamide
PubChem CID79079579
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name4-bromo-N-(2,2-difluoroethyl)benzamide
SMILESO=C(NCC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C9H8BrF2NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-4,8H,5H2,(H,13,14)
InChIKeyZPYYJFCXGVBGRQ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-carbamothioyl-N-(2,2-difluoroethyl)benzamide
CID 79140293
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
4-bromo-N-(chloromethyl)benzamide
CID 29079018
4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide
CID 99699977
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-difluoroethyl)benzamide?
The IUPAC name of 4-bromo-N-(2,2-difluoroethyl)benzamide (CID 79079579) is 4-bromo-N-(2,2-difluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2,2-difluoroethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2,2-difluoroethyl)benzamide is O=C(NCC(F)F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,2-difluoroethyl)benzamide?
The InChIKey is ZPYYJFCXGVBGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-4,8H,5H2,(H,13,14).
What are the key properties of 4-bromo-N-(2,2-difluoroethyl)benzamide?
4-bromo-N-(2,2-difluoroethyl)benzamide has a molecular weight of 264.07 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-difluoroethyl)benzamide is sourced from PubChem (CID 79079579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).