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

C15H11BrCl2FNO — CID 43079074

IUPAC2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11BrCl2FNO/c1-8(11-4-2-9(17)6-14(11)18)20-15(21)12-5-3-10(19)7-13(12)16/h2-8H,1H3,(H,20,21)
InChIKeyHKLQZUWDQJVUIW-UHFFFAOYSA-N
MW391.07 g/mol
LogP5.39
Rot. Bonds3

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

2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide (PubChem CID 43079074) has the molecular formula C15H11BrCl2FNO and a molecular weight of 391.07 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
PubChem CID43079074
Molecular FormulaC15H11BrCl2FNO
Molecular Weight391.07 g/mol
Exact Mass388.94
IUPAC Name2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11BrCl2FNO/c1-8(11-4-2-9(17)6-14(11)18)20-15(21)12-5-3-10(19)7-13(12)16/h2-8H,1H3,(H,20,21)
InChIKeyHKLQZUWDQJVUIW-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.07
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
CID 9441513

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide (CID 43079074) is 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide?
The InChIKey is HKLQZUWDQJVUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2FNO/c1-8(11-4-2-9(17)6-14(11)18)20-15(21)12-5-3-10(19)7-13(12)16/h2-8H,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide?
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide has a molecular weight of 391.07 g/mol, XLogP of 5.39, 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-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 43079074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).