2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide

C21H24ClN3O — CID 46527143

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CNC(C)c2ccccc2Cl)c1
InChIInChI=1S/C21H24ClN3O/c1-15-11-16(2)13-18(12-15)25(10-6-9-23)21(26)14-24-17(3)19-7-4-5-8-20(19)22/h4-5,7-8,11-13,17,24H,6,10,14H2,1-3H3
InChIKeyHKQAVOZPFGXKCA-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.55
Rot. Bonds7

About 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide

2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 46527143) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID46527143
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CNC(C)c2ccccc2Cl)c1
InChIInChI=1S/C21H24ClN3O/c1-15-11-16(2)13-18(12-15)25(10-6-9-23)21(26)14-24-17(3)19-7-4-5-8-20(19)22/h4-5,7-8,11-13,17,24H,6,10,14H2,1-3H3
InChIKeyHKQAVOZPFGXKCA-UHFFFAOYSA-N
XLogP4.55
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 8598614
2-bromo-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 63679867
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 7786893
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
4-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide
CID 56505420
2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide
CID 112809061
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2108726
N-(2-cyanoethyl)-2-(3,5-dimethylanilino)-N-phenylpropanamide
CID 78820379
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9307279
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307050
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 9306403

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide (CID 46527143) is 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(N(CCC#N)C(=O)CNC(C)c2ccccc2Cl)c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is HKQAVOZPFGXKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-15-11-16(2)13-18(12-15)25(10-6-9-23)21(26)14-24-17(3)19-7-4-5-8-20(19)22/h4-5,7-8,11-13,17,24H,6,10,14H2,1-3H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 369.90 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 46527143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).