5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide

C9H7BrClF2NO — CID 79079697

IUPAC5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
SMILESO=C(NCC(F)F)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H7BrClF2NO/c10-5-1-2-7(11)6(3-5)9(15)14-4-8(12)13/h1-3,8H,4H2,(H,14,15)
InChIKeySASOEQWGBMXBFI-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide

5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide (PubChem CID 79079697) has the molecular formula C9H7BrClF2NO and a molecular weight of 298.51 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
PubChem CID79079697
Molecular FormulaC9H7BrClF2NO
Molecular Weight298.51 g/mol
Exact Mass296.94
IUPAC Name5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
SMILESO=C(NCC(F)F)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H7BrClF2NO/c10-5-1-2-7(11)6(3-5)9(15)14-4-8(12)13/h1-3,8H,4H2,(H,14,15)
InChIKeySASOEQWGBMXBFI-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173
2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474107
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide (CID 79079697) is 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide is O=C(NCC(F)F)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide?
The InChIKey is SASOEQWGBMXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF2NO/c10-5-1-2-7(11)6(3-5)9(15)14-4-8(12)13/h1-3,8H,4H2,(H,14,15).
What are the key properties of 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide?
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide has a molecular weight of 298.51 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide is sourced from PubChem (CID 79079697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).