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

C15H11BrCl3NO — CID 81295924

IUPAC4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H11BrCl3NO/c16-12-4-2-10(7-14(12)19)15(21)20-6-5-9-1-3-11(17)8-13(9)18/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyUYKUPXGMCWBMAP-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.38
Rot. Bonds4

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

4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide (PubChem CID 81295924) has the molecular formula C15H11BrCl3NO and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
PubChem CID81295924
Molecular FormulaC15H11BrCl3NO
Molecular Weight407.52 g/mol
Exact Mass404.91
IUPAC Name4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H11BrCl3NO/c16-12-4-2-10(7-14(12)19)15(21)20-6-5-9-1-3-11(17)8-13(9)18/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyUYKUPXGMCWBMAP-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4796120
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
4-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-sulfanylbenzamide
CID 107021702
N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 2557905
4-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832355
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide (CID 81295924) is 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide is O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is UYKUPXGMCWBMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl3NO/c16-12-4-2-10(7-14(12)19)15(21)20-6-5-9-1-3-11(17)8-13(9)18/h1-4,7-8H,5-6H2,(H,20,21).
What are the key properties of 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 407.52 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 81295924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).