N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide

C19H16N2O2 — CID 2834001

IUPACN-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide
SMILESCC(=O)c1cc(-c2ccccc2)[nH]c1NC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-13(22)16-12-17(14-8-4-2-5-9-14)20-18(16)21-19(23)15-10-6-3-7-11-15/h2-12,20H,1H3,(H,21,23)
InChIKeyNZXLYOGAYMRYBM-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.14
Rot. Bonds4

About N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide

N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide (PubChem CID 2834001) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide
PubChem CID2834001
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide
SMILESCC(=O)c1cc(-c2ccccc2)[nH]c1NC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-13(22)16-12-17(14-8-4-2-5-9-14)20-18(16)21-19(23)15-10-6-3-7-11-15/h2-12,20H,1H3,(H,21,23)
InChIKeyNZXLYOGAYMRYBM-UHFFFAOYSA-N
XLogP4.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide?
The IUPAC name of N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide (CID 2834001) is N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide.
What is the SMILES notation for N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide?
The canonical SMILES for N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide is CC(=O)c1cc(-c2ccccc2)[nH]c1NC(=O)c1ccccc1.
What is the InChIKey of N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide?
The InChIKey is NZXLYOGAYMRYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13(22)16-12-17(14-8-4-2-5-9-14)20-18(16)21-19(23)15-10-6-3-7-11-15/h2-12,20H,1H3,(H,21,23).
What are the key properties of N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide?
N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide has a molecular weight of 304.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)benzamide is sourced from PubChem (CID 2834001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).