4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide

C14H10BrF2NO — CID 113352707

IUPAC4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
SMILESCc1cccc(F)c1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-3-2-4-11(16)13(8)18-14(19)9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H,18,19)
InChIKeyBUINKVXXEDNOOX-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

About 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide

4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide (PubChem CID 113352707) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
PubChem CID113352707
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
SMILESCc1cccc(F)c1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-3-2-4-11(16)13(8)18-14(19)9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H,18,19)
InChIKeyBUINKVXXEDNOOX-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497359
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
CID 102852150
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
CID 47421879

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide (CID 113352707) is 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide is Cc1cccc(F)c1NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide?
The InChIKey is BUINKVXXEDNOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-3-2-4-11(16)13(8)18-14(19)9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide?
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide has a molecular weight of 326.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide is sourced from PubChem (CID 113352707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).