N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide

C20H21N3O — CID 154873833

IUPACN-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESN#CCc1ccc(NC(=O)Cc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C20H21N3O/c21-12-11-16-7-9-18(10-8-16)22-20(24)15-17-5-1-2-6-19(17)23-13-3-4-14-23/h1-2,5-10H,3-4,11,13-15H2,(H,22,24)
InChIKeyJFEKLJWGSVKOHP-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.53
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide

N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 154873833) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID154873833
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESN#CCc1ccc(NC(=O)Cc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C20H21N3O/c21-12-11-16-7-9-18(10-8-16)22-20(24)15-17-5-1-2-6-19(17)23-13-3-4-14-23/h1-2,5-10H,3-4,11,13-15H2,(H,22,24)
InChIKeyJFEKLJWGSVKOHP-UHFFFAOYSA-N
XLogP3.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
N-[4-(cyanomethyl)phenyl]-2-(4-sulfanylphenyl)acetamide
CID 107028125
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-[4-(cyanomethyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9031849
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
N-[4-(cyanomethyl)phenyl]-2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55545894
N-[4-(cyanomethyl)phenyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410718
N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007227

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide (CID 154873833) is N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide is N#CCc1ccc(NC(=O)Cc2ccccc2N2CCCC2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is JFEKLJWGSVKOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-12-11-16-7-9-18(10-8-16)22-20(24)15-17-5-1-2-6-19(17)23-13-3-4-14-23/h1-2,5-10H,3-4,11,13-15H2,(H,22,24).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 154873833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).