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

C14H10BrF2NO — CID 115661442

IUPACN-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1F
InChIInChI=1S/C14H10BrF2NO/c1-8-2-3-9(6-13(8)17)14(19)18-10-4-5-12(16)11(15)7-10/h2-7H,1H3,(H,18,19)
InChIKeyRMOUFRCCVOUWES-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

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

N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide (PubChem CID 115661442) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
PubChem CID115661442
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1F
InChIInChI=1S/C14H10BrF2NO/c1-8-2-3-9(6-13(8)17)14(19)18-10-4-5-12(16)11(15)7-10/h2-7H,1H3,(H,18,19)
InChIKeyRMOUFRCCVOUWES-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-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide (CID 115661442) is N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1F.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is RMOUFRCCVOUWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-2-3-9(6-13(8)17)14(19)18-10-4-5-12(16)11(15)7-10/h2-7H,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide?
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-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-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 115661442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).