2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide

C15H11BrF3NO — CID 60666298

IUPAC2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrF3NO/c1-8(9-2-5-13(18)14(19)6-9)20-15(21)11-4-3-10(17)7-12(11)16/h2-8H,1H3,(H,20,21)
InChIKeyGOPMNHLTGVPTBV-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.36
Rot. Bonds3

About 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide

2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide (PubChem CID 60666298) has the molecular formula C15H11BrF3NO and a molecular weight of 358.16 g/mol. Its IUPAC name is 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
PubChem CID60666298
Molecular FormulaC15H11BrF3NO
Molecular Weight358.16 g/mol
Exact Mass357.00
IUPAC Name2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrF3NO/c1-8(9-2-5-13(18)14(19)6-9)20-15(21)11-4-3-10(17)7-12(11)16/h2-8H,1H3,(H,20,21)
InChIKeyGOPMNHLTGVPTBV-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732
3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 103976921
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
2-bromo-4-fluoro-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55821144
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-bromo-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 86669507

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide (CID 60666298) is 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1Br)c1ccc(F)c(F)c1.
What is the InChIKey of 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide?
The InChIKey is GOPMNHLTGVPTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO/c1-8(9-2-5-13(18)14(19)6-9)20-15(21)11-4-3-10(17)7-12(11)16/h2-8H,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide?
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide has a molecular weight of 358.16 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 60666298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).