2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide

C13H11N3O — CID 110470122

IUPAC2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C13H11N3O/c14-8-7-13(17)15-11-3-5-12(6-4-11)16-9-1-2-10-16/h1-6,9-10H,7H2,(H,15,17)
InChIKeyXTHGYWLASMKKNM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.33
Rot. Bonds3

About 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide

2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 110470122) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID110470122
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C13H11N3O/c14-8-7-13(17)15-11-3-5-12(6-4-11)16-9-1-2-10-16/h1-6,9-10H,7H2,(H,15,17)
InChIKeyXTHGYWLASMKKNM-UHFFFAOYSA-N
XLogP2.33
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 108924009
2-cyano-N-[4-(4-pyrrol-1-ylpiperidin-1-yl)phenyl]acetamide
CID 168523081
4-oxo-4-(4-pyrrol-1-ylanilino)butanoic acid
CID 110471076
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 168522198

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide (CID 110470122) is 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide is N#CCC(=O)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is XTHGYWLASMKKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-7-13(17)15-11-3-5-12(6-4-11)16-9-1-2-10-16/h1-6,9-10H,7H2,(H,15,17).
What are the key properties of 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide?
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 110470122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).