N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide

C13H16ClN3O — CID 54992430

IUPACN-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
SMILESCCN(CCC#N)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O/c1-2-17(9-5-8-15)10-13(18)16-12-7-4-3-6-11(12)14/h3-4,6-7H,2,5,9-10H2,1H3,(H,16,18)
InChIKeySJQNRTSGYBUYNB-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.51
Rot. Bonds6

About N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide

N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide (PubChem CID 54992430) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
PubChem CID54992430
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
SMILESCCN(CCC#N)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O/c1-2-17(9-5-8-15)10-13(18)16-12-7-4-3-6-11(12)14/h3-4,6-7H,2,5,9-10H2,1H3,(H,16,18)
InChIKeySJQNRTSGYBUYNB-UHFFFAOYSA-N
XLogP2.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide
CID 54996401
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
N-(2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962251
N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
CID 47056009
3-[[2-(2-chloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852075
N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride
CID 90483718
N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8843259
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 86910946
2-[[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 78828151
N-(2-chlorophenyl)-2-(3-cyanopropylsulfonyl)acetamide
CID 82531658
3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide
CID 79664559
N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide
CID 8906660

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide (CID 54992430) is N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide is CCN(CCC#N)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide?
The InChIKey is SJQNRTSGYBUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-2-17(9-5-8-15)10-13(18)16-12-7-4-3-6-11(12)14/h3-4,6-7H,2,5,9-10H2,1H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide?
N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide has a molecular weight of 265.74 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide is sourced from PubChem (CID 54992430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).