N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide

C14H10BrF2NO — CID 112695627

IUPACN-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-4-9(6-10(16)5-8)14(19)18-11-2-3-12(15)13(17)7-11/h2-7H,1H3,(H,18,19)
InChIKeyXAJFLBZKUAVJHN-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide

N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide (PubChem CID 112695627) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
PubChem CID112695627
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-4-9(6-10(16)5-8)14(19)18-11-2-3-12(15)13(17)7-11/h2-7H,1H3,(H,18,19)
InChIKeyXAJFLBZKUAVJHN-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

N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-(2-bromo-5-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112701714
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112699952

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide (CID 112695627) is N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2ccc(Br)c(F)c2)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide?
The InChIKey is XAJFLBZKUAVJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-4-9(6-10(16)5-8)14(19)18-11-2-3-12(15)13(17)7-11/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide?
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide 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 N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 112695627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).