N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide

C15H11BrCl3NO — CID 100606713

IUPACN-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H11BrCl3NO/c16-12-5-4-11(8-14(12)19)20-15(21)6-2-9-1-3-10(17)7-13(9)18/h1,3-5,7-8H,2,6H2,(H,20,21)
InChIKeyZLPKXEURCVWMDT-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.98
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide

N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide (PubChem CID 100606713) has the molecular formula C15H11BrCl3NO and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
PubChem CID100606713
Molecular FormulaC15H11BrCl3NO
Molecular Weight407.52 g/mol
Exact Mass404.91
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H11BrCl3NO/c16-12-5-4-11(8-14(12)19)20-15(21)6-2-9-1-3-10(17)7-13(9)18/h1,3-5,7-8H,2,6H2,(H,20,21)
InChIKeyZLPKXEURCVWMDT-UHFFFAOYSA-N
XLogP5.98
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 ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 100606198
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide (CID 100606713) is N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide is O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is ZLPKXEURCVWMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl3NO/c16-12-5-4-11(8-14(12)19)20-15(21)6-2-9-1-3-10(17)7-13(9)18/h1,3-5,7-8H,2,6H2,(H,20,21).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide?
N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 407.52 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 100606713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).