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

C15H11BrClF2NO — CID 107999356

IUPAC3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(Br)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H11BrClF2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)9-2-5-13(17)12(16)6-9/h2-8H,1H3,(H,20,21)
InChIKeyXZFSTNCZTVYCPF-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.87
Rot. Bonds3

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

3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide (PubChem CID 107999356) has the molecular formula C15H11BrClF2NO and a molecular weight of 374.61 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
PubChem CID107999356
Molecular FormulaC15H11BrClF2NO
Molecular Weight374.61 g/mol
Exact Mass372.97
IUPAC Name3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(Br)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H11BrClF2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)9-2-5-13(17)12(16)6-9/h2-8H,1H3,(H,20,21)
InChIKeyXZFSTNCZTVYCPF-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852174
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide (CID 107999356) is 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)c(Br)c1)c1ccc(F)cc1F.
What is the InChIKey of 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide?
The InChIKey is XZFSTNCZTVYCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF2NO/c1-8(11-4-3-10(18)7-14(11)19)20-15(21)9-2-5-13(17)12(16)6-9/h2-8H,1H3,(H,20,21).
What are the key properties of 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide?
3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide has a molecular weight of 374.61 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 107999356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).