2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide

C17H20N2O2 — CID 3237590

IUPAC2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12(2)18-17(21)13(3)19-11-7-10-15(19)16(20)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,18,21)
InChIKeyQZBBQHMIZYJQED-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide

2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 3237590) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide
PubChem CID3237590
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12(2)18-17(21)13(3)19-11-7-10-15(19)16(20)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,18,21)
InChIKeyQZBBQHMIZYJQED-UHFFFAOYSA-N
XLogP2.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.80
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-propan-2-ylpropanamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide (CID 3237590) is 2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)n1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is QZBBQHMIZYJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)18-17(21)13(3)19-11-7-10-15(19)16(20)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,18,21).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide?
2-(2-benzoylpyrrol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.80, 5 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-propan-2-ylpropanamide is sourced from PubChem (CID 3237590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).