4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide

C16H15BrFNO — CID 26927952

IUPAC4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C16H15BrFNO/c1-11-4-2-3-5-12(11)8-9-19-16(20)14-7-6-13(17)10-15(14)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyGXUAZZKUGSCLCW-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.87
Rot. Bonds4

About 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide

4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 26927952) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID26927952
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C16H15BrFNO/c1-11-4-2-3-5-12(11)8-9-19-16(20)14-7-6-13(17)10-15(14)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyGXUAZZKUGSCLCW-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
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[2-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
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4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
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4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide (CID 26927952) is 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1CCNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is GXUAZZKUGSCLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-4-2-3-5-12(11)8-9-19-16(20)14-7-6-13(17)10-15(14)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide?
4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 336.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 26927952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).