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

C14H11BrFNO — CID 165449462

IUPAC3-bromo-4-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1-c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C14H11BrFNO/c1-8-6-10(16)3-5-11(8)12-4-2-9(14(17)18)7-13(12)15/h2-7H,1H3,(H2,17,18)
InChIKeyDGJZWTVJVCLYAI-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.66
Rot. Bonds2

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

3-bromo-4-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 165449462) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-(4-fluoro-2-methylphenyl)benzamide
PubChem CID165449462
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name3-bromo-4-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1-c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C14H11BrFNO/c1-8-6-10(16)3-5-11(8)12-4-2-9(14(17)18)7-13(12)15/h2-7H,1H3,(H2,17,18)
InChIKeyDGJZWTVJVCLYAI-UHFFFAOYSA-N
XLogP3.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide (CID 165449462) is 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)ccc1-c1ccc(C(N)=O)cc1Br.
What is the InChIKey of 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is DGJZWTVJVCLYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-8-6-10(16)3-5-11(8)12-4-2-9(14(17)18)7-13(12)15/h2-7H,1H3,(H2,17,18).
What are the key properties of 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide?
3-bromo-4-(4-fluoro-2-methylphenyl)benzamide has a molecular weight of 308.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 165449462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).