2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide

C17H15ClN2O — CID 62504093

IUPAC2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
SMILESN#CCCN(C(=O)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-15-7-4-6-14(12-15)13-17(21)20(11-5-10-19)16-8-2-1-3-9-16/h1-4,6-9,12H,5,11,13H2
InChIKeyORMAIDYFCKTKMK-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.83
Rot. Bonds5

About 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide

2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide (PubChem CID 62504093) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
PubChem CID62504093
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
SMILESN#CCCN(C(=O)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c18-15-7-4-6-14(12-15)13-17(21)20(11-5-10-19)16-8-2-1-3-9-16/h1-4,6-9,12H,5,11,13H2
InChIKeyORMAIDYFCKTKMK-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N'-(2-cyanoethyl)-N-[2-(3,5-dichlorophenyl)ethyl]-N'-phenylbutanediamide
CID 56538942
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 2361833
2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide
CID 7420241
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 40568576
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 7661151
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4-cyanophenoxy)acetamide
CID 2469813
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
CID 24702771

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide (CID 62504093) is 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide is N#CCCN(C(=O)Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide?
The InChIKey is ORMAIDYFCKTKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-7-4-6-14(12-15)13-17(21)20(11-5-10-19)16-8-2-1-3-9-16/h1-4,6-9,12H,5,11,13H2.
What are the key properties of 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide?
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide has a molecular weight of 298.77 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide is sourced from PubChem (CID 62504093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).