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

C24H18N2O2 — CID 1224765

IUPACN-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide
SMILESO=C(Nc1[nH]c(-c2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)25-23(20)26-24(28)19-14-8-3-9-15-19/h1-16,25H,(H,26,28)
InChIKeyISNFWOUYYLLDOA-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.16
Rot. Bonds5

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

N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide (PubChem CID 1224765) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide
PubChem CID1224765
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC NameN-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide
SMILESO=C(Nc1[nH]c(-c2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)25-23(20)26-24(28)19-14-8-3-9-15-19/h1-16,25H,(H,26,28)
InChIKeyISNFWOUYYLLDOA-UHFFFAOYSA-N
XLogP5.16
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide?
The IUPAC name of N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide (CID 1224765) is N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide.
What is the SMILES notation for N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide?
The canonical SMILES for N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide is O=C(Nc1[nH]c(-c2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide?
The InChIKey is ISNFWOUYYLLDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)25-23(20)26-24(28)19-14-8-3-9-15-19/h1-16,25H,(H,26,28).
What are the key properties of N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide?
N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide has a molecular weight of 366.42 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide is sourced from PubChem (CID 1224765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).