2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide

C14H18ClN3O — CID 60696457

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CC(=O)N(C)CCC#N)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-17(10-12-6-3-4-7-13(12)15)11-14(19)18(2)9-5-8-16/h3-4,6-7H,5,9-11H2,1-2H3
InChIKeyGZTJAMVRHGXIKP-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.14
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide

2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 60696457) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID60696457
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CC(=O)N(C)CCC#N)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-17(10-12-6-3-4-7-13(12)15)11-14(19)18(2)9-5-8-16/h3-4,6-7H,5,9-11H2,1-2H3
InChIKeyGZTJAMVRHGXIKP-UHFFFAOYSA-N
XLogP2.14
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60691148
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86911542
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78788041
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)sulfinyl-N-methylacetamide
CID 115477733
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 63821061
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide (CID 60696457) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide is CN(CC(=O)N(C)CCC#N)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is GZTJAMVRHGXIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-17(10-12-6-3-4-7-13(12)15)11-14(19)18(2)9-5-8-16/h3-4,6-7H,5,9-11H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 279.77 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 60696457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).