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

C12H12N2O — CID 47168980

IUPAC2-(4-pyrrol-1-ylphenyl)acetamide
SMILESNC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H12N2O/c13-12(15)9-10-3-5-11(6-4-10)14-7-1-2-8-14/h1-8H,9H2,(H2,13,15)
InChIKeyVHAODFHLTRFTFG-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.51
Rot. Bonds3

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

2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 47168980) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID47168980
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(4-pyrrol-1-ylphenyl)acetamide
SMILESNC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H12N2O/c13-12(15)9-10-3-5-11(6-4-10)14-7-1-2-8-14/h1-8H,9H2,(H2,13,15)
InChIKeyVHAODFHLTRFTFG-UHFFFAOYSA-N
XLogP1.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-pyrrol-1-ylphenyl)acetamide (CID 47168980) is 2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-pyrrol-1-ylphenyl)acetamide is NC(=O)Cc1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is VHAODFHLTRFTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-12(15)9-10-3-5-11(6-4-10)14-7-1-2-8-14/h1-8H,9H2,(H2,13,15).
What are the key properties of 2-(4-pyrrol-1-ylphenyl)acetamide?
2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 200.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 47168980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).