2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide

C21H19ClN2O2 — CID 6623326

IUPAC2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)cc1)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c1-15(21(26)23-14-16-9-11-18(22)12-10-16)24-13-5-8-19(24)20(25)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,26)
InChIKeyPAUWOCNOUZNSDD-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.25
Rot. Bonds6

About 2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide

2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 6623326) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID6623326
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)cc1)n1cccc1C(=O)c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c1-15(21(26)23-14-16-9-11-18(22)12-10-16)24-13-5-8-19(24)20(25)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,26)
InChIKeyPAUWOCNOUZNSDD-UHFFFAOYSA-N
XLogP4.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.25
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-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide (CID 6623326) is 2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide is CC(C(=O)NCc1ccc(Cl)cc1)n1cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is PAUWOCNOUZNSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-15(21(26)23-14-16-9-11-18(22)12-10-16)24-13-5-8-19(24)20(25)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,23,26).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide?
2-(2-benzoylpyrrol-1-yl)-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 366.85 g/mol, XLogP of 4.25, 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-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 6623326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).