3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide

C13H7BrClF2NO — CID 114025876

IUPAC3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7BrClF2NO/c14-11-3-7(1-2-12(11)15)13(19)18-10-5-8(16)4-9(17)6-10/h1-6H,(H,18,19)
InChIKeyPHYAXYDCWJYXCG-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.63
Rot. Bonds2

About 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide

3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide (PubChem CID 114025876) has the molecular formula C13H7BrClF2NO and a molecular weight of 346.56 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
PubChem CID114025876
Molecular FormulaC13H7BrClF2NO
Molecular Weight346.56 g/mol
Exact Mass344.94
IUPAC Name3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7BrClF2NO/c14-11-3-7(1-2-12(11)15)13(19)18-10-5-8(16)4-9(17)6-10/h1-6H,(H,18,19)
InChIKeyPHYAXYDCWJYXCG-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-(3-fluorophenyl)benzamide
CID 107999213
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107335305
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide (CID 114025876) is 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide is O=C(Nc1cc(F)cc(F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide?
The InChIKey is PHYAXYDCWJYXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NO/c14-11-3-7(1-2-12(11)15)13(19)18-10-5-8(16)4-9(17)6-10/h1-6H,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide?
3-bromo-4-chloro-N-(3,5-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-4-chloro-N-(3,5-difluorophenyl)benzamide is sourced from PubChem (CID 114025876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).