2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide

C15H20ClN3O — CID 102665377

IUPAC2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H20ClN3O/c1-4-19(5-2)15(20)11-18(3)10-13-7-6-12(9-17)8-14(13)16/h6-8H,4-5,10-11H2,1-3H3
InChIKeyRTZDVIGKSIPYDC-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.51
Rot. Bonds6

About 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide

2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide (PubChem CID 102665377) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
PubChem CID102665377
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H20ClN3O/c1-4-19(5-2)15(20)11-18(3)10-13-7-6-12(9-17)8-14(13)16/h6-8H,4-5,10-11H2,1-3H3
InChIKeyRTZDVIGKSIPYDC-UHFFFAOYSA-N
XLogP2.51
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide
CID 102665299
3-chloro-4-[[2-hydroxyethyl(methyl)amino]methyl]benzonitrile
CID 102665322
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 102665414
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 102665596
3-chloro-4-[[2-cyanoethyl(methyl)amino]methyl]benzonitrile
CID 102665214
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60704014
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294
N-(2-chloro-4-cyanophenyl)-N-methylpropanamide
CID 44597129
3-chloro-4-[(N,2,4-trimethylanilino)methyl]benzonitrile
CID 102665445
3-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzonitrile
CID 102665321

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide (CID 102665377) is 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is RTZDVIGKSIPYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-19(5-2)15(20)11-18(3)10-13-7-6-12(9-17)8-14(13)16/h6-8H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide?
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 293.80 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 102665377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).