2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

C21H26N2O — CID 56716281

IUPAC2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-16(2)23-13-12-17(15-23)14-22-21(24)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)
InChIKeyCRRZYCRIPCBIRC-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.81
Rot. Bonds5

About 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 56716281) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID56716281
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-16(2)23-13-12-17(15-23)14-22-21(24)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)
InChIKeyCRRZYCRIPCBIRC-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 115330698
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60614096
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide
CID 77085411

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 56716281) is 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is CC(C)N1CCC(CNC(=O)c2ccccc2-c2ccccc2)C1.
What is the InChIKey of 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is CRRZYCRIPCBIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(2)23-13-12-17(15-23)14-22-21(24)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,22,24).
What are the key properties of 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 56716281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).