2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide

C15H12BrClFNO — CID 115678186

IUPAC2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)c1ccccc1Cl
InChIInChI=1S/C15H12BrClFNO/c1-9(10-5-2-3-7-12(10)17)19-15(20)14-11(16)6-4-8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyXPYADSFYSNXDTM-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.73
Rot. Bonds3

About 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide

2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide (PubChem CID 115678186) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
PubChem CID115678186
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)c1ccccc1Cl
InChIInChI=1S/C15H12BrClFNO/c1-9(10-5-2-3-7-12(10)17)19-15(20)14-11(16)6-4-8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyXPYADSFYSNXDTM-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 104916492
2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
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
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290
2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212285
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide (CID 115678186) is 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide is CC(NC(=O)c1c(F)cccc1Br)c1ccccc1Cl.
What is the InChIKey of 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide?
The InChIKey is XPYADSFYSNXDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9(10-5-2-3-7-12(10)17)19-15(20)14-11(16)6-4-8-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide?
2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.73, 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-(2-chlorophenyl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 115678186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).