2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide

C17H15ClN2O — CID 43245519

IUPAC2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
SMILESN#CCCN(C(=O)C(Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-16(14-8-3-1-4-9-14)17(21)20(13-7-12-19)15-10-5-2-6-11-15/h1-6,8-11,16H,7,13H2
InChIKeyPTGXIJURDYHZTJ-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.91
Rot. Bonds5

About 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide

2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide (PubChem CID 43245519) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
PubChem CID43245519
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
SMILESN#CCCN(C(=O)C(Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-16(14-8-3-1-4-9-14)17(21)20(13-7-12-19)15-10-5-2-6-11-15/h1-6,8-11,16H,7,13H2
InChIKeyPTGXIJURDYHZTJ-UHFFFAOYSA-N
XLogP3.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352
2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
CID 65225792
2-[[2-cyanoethyl(phenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61193258
[(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2,2,2-trifluoroacetate
CID 99799797
N-(2-cyanoethyl)-2-(3,5-dimethylanilino)-N-phenylpropanamide
CID 78820379
(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
CID 97329844
N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide
CID 4817772
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
CID 62679945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide (CID 43245519) is 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide is N#CCCN(C(=O)C(Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide?
The InChIKey is PTGXIJURDYHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-16(14-8-3-1-4-9-14)17(21)20(13-7-12-19)15-10-5-2-6-11-15/h1-6,8-11,16H,7,13H2.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide?
2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide has a molecular weight of 298.77 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide is sourced from PubChem (CID 43245519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).