N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide

C21H20N2O2 — CID 4785014

IUPACN-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-14-7-8-15(2)23(14)20-11-9-17(10-12-20)21(25)22-19-6-4-5-18(13-19)16(3)24/h4-13H,1-3H3,(H,22,25)
InChIKeyUNNDGEZMGUHVRC-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.55
Rot. Bonds4

About N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide

N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 4785014) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID4785014
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-14-7-8-15(2)23(14)20-11-9-17(10-12-20)21(25)22-19-6-4-5-18(13-19)16(3)24/h4-13H,1-3H3,(H,22,25)
InChIKeyUNNDGEZMGUHVRC-UHFFFAOYSA-N
XLogP4.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

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CID 722882
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N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
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CID 26717528
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
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CID 110693091

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide (CID 4785014) is N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide is CC(=O)c1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is UNNDGEZMGUHVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-7-8-15(2)23(14)20-11-9-17(10-12-20)21(25)22-19-6-4-5-18(13-19)16(3)24/h4-13H,1-3H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide?
N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 332.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 4785014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).