2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide

C14H10BrF2NO — CID 61063397

IUPAC2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrF2NO/c1-18(11-5-2-9(16)3-6-11)14(19)12-7-4-10(17)8-13(12)15/h2-8H,1H3
InChIKeyJNUKEVMFGAPMGQ-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.00
Rot. Bonds2

About 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide

2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide (PubChem CID 61063397) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
PubChem CID61063397
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H10BrF2NO/c1-18(11-5-2-9(16)3-6-11)14(19)12-7-4-10(17)8-13(12)15/h2-8H,1H3
InChIKeyJNUKEVMFGAPMGQ-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739035
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
2-chloro-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739024
N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide
CID 86963073
2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide
CID 107027600
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
4-fluoro-N,2-dimethyl-N-pyridin-4-ylbenzamide
CID 106934866
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide (CID 61063397) is 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide?
The InChIKey is JNUKEVMFGAPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-18(11-5-2-9(16)3-6-11)14(19)12-7-4-10(17)8-13(12)15/h2-8H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide?
2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide has a molecular weight of 326.14 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 61063397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).