2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide

C15H10BrF4NO — CID 125465006

IUPAC2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide
SMILESO=C(NCC(F)(F)c1ccc(F)cc1F)c1ccccc1Br
InChIInChI=1S/C15H10BrF4NO/c16-12-4-2-1-3-10(12)14(22)21-8-15(19,20)11-6-5-9(17)7-13(11)18/h1-7H,8H2,(H,21,22)
InChIKeyOUFADOUWHCDPHU-UHFFFAOYSA-N
MW376.15 g/mol
LogP4.25
Rot. Bonds4

About 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide

2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide (PubChem CID 125465006) has the molecular formula C15H10BrF4NO and a molecular weight of 376.15 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide
PubChem CID125465006
Molecular FormulaC15H10BrF4NO
Molecular Weight376.15 g/mol
Exact Mass374.99
IUPAC Name2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide
SMILESO=C(NCC(F)(F)c1ccc(F)cc1F)c1ccccc1Br
InChIInChI=1S/C15H10BrF4NO/c16-12-4-2-1-3-10(12)14(22)21-8-15(19,20)11-6-5-9(17)7-13(11)18/h1-7H,8H2,(H,21,22)
InChIKeyOUFADOUWHCDPHU-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.15
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[2,2-difluoro-2-(2,4,6-trifluorophenyl)ethyl]benzamide
CID 125464714
N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 121304779
N-[2,2-difluoro-2-[2-fluoro-4-(6-fluoro-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578719
2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide
CID 125464994
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
CID 106548223
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
N-[2,2-difluoro-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578727
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide (CID 125465006) is 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide is O=C(NCC(F)(F)c1ccc(F)cc1F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide?
The InChIKey is OUFADOUWHCDPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF4NO/c16-12-4-2-1-3-10(12)14(22)21-8-15(19,20)11-6-5-9(17)7-13(11)18/h1-7H,8H2,(H,21,22).
What are the key properties of 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide?
2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide has a molecular weight of 376.15 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide is sourced from PubChem (CID 125465006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).