3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide

C13H7BrClF2NO — CID 82889682

IUPAC3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C13H7BrClF2NO/c14-8-3-1-2-7(4-8)13(19)18-12-10(15)5-9(16)6-11(12)17/h1-6H,(H,18,19)
InChIKeyFMHPGXAQYFLBIH-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.63
Rot. Bonds2

About 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide

3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide (PubChem CID 82889682) has the molecular formula C13H7BrClF2NO and a molecular weight of 346.56 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
PubChem CID82889682
Molecular FormulaC13H7BrClF2NO
Molecular Weight346.56 g/mol
Exact Mass344.94
IUPAC Name3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C13H7BrClF2NO/c14-8-3-1-2-7(4-8)13(19)18-12-10(15)5-9(16)6-11(12)17/h1-6H,(H,18,19)
InChIKeyFMHPGXAQYFLBIH-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
N-(2-bromo-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174
3-(chloromethyl)-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 83078751
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
5-chloro-N-(2-chloro-4,6-difluorophenyl)furan-2-carboxamide
CID 113343811
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
5-bromo-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889340

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide?
The IUPAC name of 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide (CID 82889682) is 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide is O=C(Nc1c(F)cc(F)cc1Cl)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide?
The InChIKey is FMHPGXAQYFLBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NO/c14-8-3-1-2-7(4-8)13(19)18-12-10(15)5-9(16)6-11(12)17/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide?
3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide has a molecular weight of 346.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide is sourced from PubChem (CID 82889682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).