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

C17H14Cl2N2O — CID 39858894

IUPACN-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N2O/c1-21(11-13-7-5-12(10-20)6-8-13)17(22)9-14-15(18)3-2-4-16(14)19/h2-8H,9,11H2,1H3
InChIKeyKOHUZIIVWUCBFN-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.07
Rot. Bonds4

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

N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide (PubChem CID 39858894) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
PubChem CID39858894
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N2O/c1-21(11-13-7-5-12(10-20)6-8-13)17(22)9-14-15(18)3-2-4-16(14)19/h2-8H,9,11H2,1H3
InChIKeyKOHUZIIVWUCBFN-UHFFFAOYSA-N
XLogP4.07
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 39862065
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 39861213
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid
CID 120689902
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39860943
(E)-4-[(4-cyanophenyl)methyl-methylamino]-4-oxobut-2-enoic acid
CID 54875290
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
1-[(4-cyanophenyl)methyl]-3-(2,6-diethylphenyl)-1-methylurea
CID 86987271
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78852195

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide (CID 39858894) is N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide is CN(Cc1ccc(C#N)cc1)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide?
The InChIKey is KOHUZIIVWUCBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-21(11-13-7-5-12(10-20)6-8-13)17(22)9-14-15(18)3-2-4-16(14)19/h2-8H,9,11H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide?
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide has a molecular weight of 333.22 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 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)-N-methylacetamide is sourced from PubChem (CID 39858894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).