2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide

C16H15BrFNO2 — CID 60739114

IUPAC2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H15BrFNO2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)14-8-5-12(18)9-15(14)17/h3-10H,1-2H3,(H,19,20)
InChIKeyZNXDIYXYCXDTPH-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.09
Rot. Bonds4

About 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide

2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 60739114) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID60739114
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H15BrFNO2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)14-8-5-12(18)9-15(14)17/h3-10H,1-2H3,(H,19,20)
InChIKeyZNXDIYXYCXDTPH-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
2-[1-(4-methoxyphenyl)ethylcarbamoyl]terephthalic acid
CID 50876855

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide (CID 60739114) is 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is ZNXDIYXYCXDTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-10(11-3-6-13(21-2)7-4-11)19-16(20)14-8-5-12(18)9-15(14)17/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 352.20 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 60739114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).