N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide

C14H10BrF2NO — CID 103753535

IUPACN-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2Br)ccc1F
InChIInChI=1S/C14H10BrF2NO/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(16)3-4-11(13)15/h2-7H,1H3,(H,18,19)
InChIKeyMMWRZEUNATUXQD-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide

N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide (PubChem CID 103753535) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
PubChem CID103753535
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2Br)ccc1F
InChIInChI=1S/C14H10BrF2NO/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(16)3-4-11(13)15/h2-7H,1H3,(H,18,19)
InChIKeyMMWRZEUNATUXQD-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-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
CID 115769609
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107033697

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide (CID 103753535) is N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(F)ccc2Br)ccc1F.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide?
The InChIKey is MMWRZEUNATUXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(16)3-4-11(13)15/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide?
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-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-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 103753535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).