N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide

C16H12Cl2N2O — CID 46587432

IUPACN-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H12Cl2N2O/c17-14-2-1-3-15(18)13(14)8-16(21)20-10-12-6-4-11(9-19)5-7-12/h1-7H,8,10H2,(H,20,21)
InChIKeyQNIAMCLHDOPDJU-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.72
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide

N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 46587432) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID46587432
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H12Cl2N2O/c17-14-2-1-3-15(18)13(14)8-16(21)20-10-12-6-4-11(9-19)5-7-12/h1-7H,8,10H2,(H,20,21)
InChIKeyQNIAMCLHDOPDJU-UHFFFAOYSA-N
XLogP3.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 39858894
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide (CID 46587432) is N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide is N#Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is QNIAMCLHDOPDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-14-2-1-3-15(18)13(14)8-16(21)20-10-12-6-4-11(9-19)5-7-12/h1-7H,8,10H2,(H,20,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide?
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 319.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 46587432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).