2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide

C15H11BrF3NO — CID 115678201

IUPAC2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrF3NO/c1-8(9-5-6-11(17)13(19)7-9)20-15(21)14-10(16)3-2-4-12(14)18/h2-8H,1H3,(H,20,21)
InChIKeyUSONVHRJEJVUJL-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.36
Rot. Bonds3

About 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide

2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide (PubChem CID 115678201) 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]-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
PubChem CID115678201
Molecular FormulaC15H11BrF3NO
Molecular Weight358.16 g/mol
Exact Mass357.00
IUPAC Name2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11BrF3NO/c1-8(9-5-6-11(17)13(19)7-9)20-15(21)14-10(16)3-2-4-12(14)18/h2-8H,1H3,(H,20,21)
InChIKeyUSONVHRJEJVUJL-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-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 103976921
N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072463
N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
CID 115678186
2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115678760
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522444
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
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]-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide (CID 115678201) is 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide is CC(NC(=O)c1c(F)cccc1Br)c1ccc(F)c(F)c1.
What is the InChIKey of 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide?
The InChIKey is USONVHRJEJVUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO/c1-8(9-5-6-11(17)13(19)7-9)20-15(21)14-10(16)3-2-4-12(14)18/h2-8H,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide?
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-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]-6-fluorobenzamide is sourced from PubChem (CID 115678201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).