2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide

C14H11BrFNO2 — CID 115678058

IUPAC2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C14H11BrFNO2/c1-19-10-7-5-9(6-8-10)17-14(18)13-11(15)3-2-4-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyVSCKAMIZSTXAFX-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.85
Rot. Bonds3

About 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide

2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide (PubChem CID 115678058) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
PubChem CID115678058
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C14H11BrFNO2/c1-19-10-7-5-9(6-8-10)17-14(18)13-11(15)3-2-4-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyVSCKAMIZSTXAFX-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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Related Compounds

2-bromo-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168
2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
CID 115678157
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
6-N-(2,6-difluorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100970
2-fluoro-N-(4-iodophenyl)-6-methoxybenzamide
CID 65432477
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide (CID 115678058) is 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2c(F)cccc2Br)cc1.
What is the InChIKey of 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide?
The InChIKey is VSCKAMIZSTXAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-19-10-7-5-9(6-8-10)17-14(18)13-11(15)3-2-4-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide?
2-bromo-6-fluoro-N-(4-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 2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 115678058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).