N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide

C20H20N2O — CID 3795809

IUPACN-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)C(Cc2ccccc2)n2cccc2)cc1
InChIInChI=1S/C20H20N2O/c1-16-9-11-18(12-10-16)21-20(23)19(22-13-5-6-14-22)15-17-7-3-2-4-8-17/h2-14,19H,15H2,1H3,(H,21,23)
InChIKeyAOMJSBXVZNFOGU-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.22
Rot. Bonds5

About N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide

N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 3795809) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
PubChem CID3795809
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)C(Cc2ccccc2)n2cccc2)cc1
InChIInChI=1S/C20H20N2O/c1-16-9-11-18(12-10-16)21-20(23)19(22-13-5-6-14-22)15-17-7-3-2-4-8-17/h2-14,19H,15H2,1H3,(H,21,23)
InChIKeyAOMJSBXVZNFOGU-UHFFFAOYSA-N
XLogP4.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide (CID 3795809) is N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide is Cc1ccc(NC(=O)C(Cc2ccccc2)n2cccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The InChIKey is AOMJSBXVZNFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-16-9-11-18(12-10-16)21-20(23)19(22-13-5-6-14-22)15-17-7-3-2-4-8-17/h2-14,19H,15H2,1H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3795809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).