2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide

C20H22ClN3O — CID 112809061

IUPAC2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide
SMILESCCC(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O/c1-2-19(16-9-11-17(21)12-10-16)23-15-20(25)24(14-6-13-22)18-7-4-3-5-8-18/h3-5,7-12,19,23H,2,6,14-15H2,1H3
InChIKeyWHORSKIWZGZUDH-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.33
Rot. Bonds8

About 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide

2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide (PubChem CID 112809061) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide
PubChem CID112809061
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide
SMILESCCC(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O/c1-2-19(16-9-11-17(21)12-10-16)23-15-20(25)24(14-6-13-22)18-7-4-3-5-8-18/h3-5,7-12,19,23H,2,6,14-15H2,1H3
InChIKeyWHORSKIWZGZUDH-UHFFFAOYSA-N
XLogP4.33
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenyl-2-(1-phenylpropylamino)acetamide
CID 54845115
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 2361833
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56506370
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093
2-[1-(2-chlorophenyl)ethylamino]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 46527143
2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
CID 43245519
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(4-chlorophenyl)prop-2-enoate
CID 4137959
methyl 3-(2-chlorophenyl)-3-[[4-[N-(2-cyanoethyl)anilino]-4-oxobutanoyl]amino]propanoate
CID 56515615
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide (CID 112809061) is 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide is CCC(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide?
The InChIKey is WHORSKIWZGZUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-2-19(16-9-11-17(21)12-10-16)23-15-20(25)24(14-6-13-22)18-7-4-3-5-8-18/h3-5,7-12,19,23H,2,6,14-15H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide?
2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide has a molecular weight of 355.87 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]-N-(2-cyanoethyl)-N-phenylacetamide is sourced from PubChem (CID 112809061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).