N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide

C15H9Cl3N2O — CID 2448530

IUPACN-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H9Cl3N2O/c16-12-4-1-9(5-14(12)18)6-15(21)20-11-3-2-10(8-19)13(17)7-11/h1-5,7H,6H2,(H,20,21)
InChIKeyUCLGJLSUZSJCPB-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.70
Rot. Bonds3

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

N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 2448530) has the molecular formula C15H9Cl3N2O and a molecular weight of 339.61 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID2448530
Molecular FormulaC15H9Cl3N2O
Molecular Weight339.61 g/mol
Exact Mass337.98
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H9Cl3N2O/c16-12-4-1-9(5-14(12)18)6-15(21)20-11-3-2-10(8-19)13(17)7-11/h1-5,7H,6H2,(H,20,21)
InChIKeyUCLGJLSUZSJCPB-UHFFFAOYSA-N
XLogP4.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534784
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 104880469
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703794
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide (CID 2448530) is N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide is N#Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is UCLGJLSUZSJCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O/c16-12-4-1-9(5-14(12)18)6-15(21)20-11-3-2-10(8-19)13(17)7-11/h1-5,7H,6H2,(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 339.61 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 2448530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).