(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide

C20H20N2O — CID 92710134

IUPAC(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@@H](CC(=O)Nc2ccccc2)n2cccc2)c1
InChIInChI=1S/C20H20N2O/c1-16-8-7-9-17(14-16)19(22-12-5-6-13-22)15-20(23)21-18-10-3-2-4-11-18/h2-14,19H,15H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyDLRKSPCMOREXNV-LJQANCHMSA-N
MW304.39 g/mol
LogP4.41
Rot. Bonds5

About (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide

(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide (PubChem CID 92710134) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
PubChem CID92710134
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@@H](CC(=O)Nc2ccccc2)n2cccc2)c1
InChIInChI=1S/C20H20N2O/c1-16-8-7-9-17(14-16)19(22-12-5-6-13-22)15-20(23)21-18-10-3-2-4-11-18/h2-14,19H,15H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyDLRKSPCMOREXNV-LJQANCHMSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710105
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 92710137
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710109
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709799
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342997
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709311

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide (CID 92710134) is (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide is Cc1cccc([C@@H](CC(=O)Nc2ccccc2)n2cccc2)c1.
What is the InChIKey of (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide?
The InChIKey is DLRKSPCMOREXNV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N2O/c1-16-8-7-9-17(14-16)19(22-12-5-6-13-22)15-20(23)21-18-10-3-2-4-11-18/h2-14,19H,15H2,1H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide?
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92710134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).