2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide

C15H15N3O — CID 103725457

IUPAC2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESN#Cc1ccc(CC(=O)NCCn2cccc2)cc1
InChIInChI=1S/C15H15N3O/c16-12-14-5-3-13(4-6-14)11-15(19)17-7-10-18-8-1-2-9-18/h1-6,8-9H,7,10-11H2,(H,17,19)
InChIKeyMEKIBFBUEODNNN-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide

2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 103725457) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID103725457
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESN#Cc1ccc(CC(=O)NCCn2cccc2)cc1
InChIInChI=1S/C15H15N3O/c16-12-14-5-3-13(4-6-14)11-15(19)17-7-10-18-8-1-2-9-18/h1-6,8-9H,7,10-11H2,(H,17,19)
InChIKeyMEKIBFBUEODNNN-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide (CID 103725457) is 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide is N#Cc1ccc(CC(=O)NCCn2cccc2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is MEKIBFBUEODNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-12-14-5-3-13(4-6-14)11-15(19)17-7-10-18-8-1-2-9-18/h1-6,8-9H,7,10-11H2,(H,17,19).
What are the key properties of 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide?
2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 103725457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).