2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide

C15H15N3O — CID 106391157

IUPAC2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
SMILESN#CC(C(=O)NCCn1cccc1)c1ccccc1
InChIInChI=1S/C15H15N3O/c16-12-14(13-6-2-1-3-7-13)15(19)17-8-11-18-9-4-5-10-18/h1-7,9-10,14H,8,11H2,(H,17,19)
InChIKeyXOYOBVQZOLBGCR-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.91
Rot. Bonds5

About 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide

2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 106391157) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID106391157
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
SMILESN#CC(C(=O)NCCn1cccc1)c1ccccc1
InChIInChI=1S/C15H15N3O/c16-12-14(13-6-2-1-3-7-13)15(19)17-8-11-18-9-4-5-10-18/h1-7,9-10,14H,8,11H2,(H,17,19)
InChIKeyXOYOBVQZOLBGCR-UHFFFAOYSA-N
XLogP1.91
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337642
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
CID 106247860
3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 166328931
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 83015427

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide (CID 106391157) is 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide is N#CC(C(=O)NCCn1cccc1)c1ccccc1.
What is the InChIKey of 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is XOYOBVQZOLBGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-12-14(13-6-2-1-3-7-13)15(19)17-8-11-18-9-4-5-10-18/h1-7,9-10,14H,8,11H2,(H,17,19).
What are the key properties of 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide?
2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 106391157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).