N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide

C15H9BrCl2N2O — CID 104880469

IUPACN-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-11-3-2-10(8-19)14(7-11)20-15(21)6-9-1-4-12(17)13(18)5-9/h1-5,7H,6H2,(H,20,21)
InChIKeyKZCJELOHPGYWKT-UHFFFAOYSA-N
MW384.06 g/mol
LogP4.81
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide

N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 104880469) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID104880469
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-11-3-2-10(8-19)14(7-11)20-15(21)6-9-1-4-12(17)13(18)5-9/h1-5,7H,6H2,(H,20,21)
InChIKeyKZCJELOHPGYWKT-UHFFFAOYSA-N
XLogP4.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.06
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
CID 104880434
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
CID 104880239
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-(5-bromo-2-cyanophenyl)-2-(2,4-difluorophenyl)acetamide
CID 104880226
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
N-(5-bromo-2-cyanophenyl)-3-chloro-2,2-dimethylpropanamide
CID 107797781
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide (CID 104880469) is N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide is N#Cc1ccc(Br)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is KZCJELOHPGYWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-11-3-2-10(8-19)14(7-11)20-15(21)6-9-1-4-12(17)13(18)5-9/h1-5,7H,6H2,(H,20,21).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide?
N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 384.06 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 104880469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).