3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide

C14H11BrFNO2 — CID 25176085

IUPAC3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrFNO2/c1-19-11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyBTJTYYCNWKCYRL-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.85
Rot. Bonds3

About 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide

3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide (PubChem CID 25176085) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide
PubChem CID25176085
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrFNO2/c1-19-11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyBTJTYYCNWKCYRL-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide (CID 25176085) is 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide?
The InChIKey is BTJTYYCNWKCYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-19-11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide?
3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 25176085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).