2-(2-benzoylpyrrol-1-yl)-N-propylacetamide

C16H18N2O2 — CID 3240246

IUPAC2-(2-benzoylpyrrol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-10-17-15(19)12-18-11-6-9-14(18)16(20)13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3,(H,17,19)
InChIKeyDONIYADQJWRFFL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide

2-(2-benzoylpyrrol-1-yl)-N-propylacetamide (PubChem CID 3240246) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-propylacetamide
PubChem CID3240246
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-10-17-15(19)12-18-11-6-9-14(18)16(20)13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3,(H,17,19)
InChIKeyDONIYADQJWRFFL-UHFFFAOYSA-N
XLogP2.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide (CID 3240246) is 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide?
The InChIKey is DONIYADQJWRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-10-17-15(19)12-18-11-6-9-14(18)16(20)13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3,(H,17,19).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide?
2-(2-benzoylpyrrol-1-yl)-N-propylacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-propylacetamide is sourced from PubChem (CID 3240246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).