N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide

C25H24N2O2 — CID 2817619

IUPACN-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
SMILESO=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C25H24N2O2/c28-24(20-12-5-2-6-13-20)21-14-7-8-15-22(21)26-25(29)23-16-9-17-27(23)18-19-10-3-1-4-11-19/h1-8,10-15,23H,9,16-18H2,(H,26,29)
InChIKeyIPSABLMEYFYEHS-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.52
Rot. Bonds6

About N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide

N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide (PubChem CID 2817619) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
PubChem CID2817619
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
SMILESO=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C25H24N2O2/c28-24(20-12-5-2-6-13-20)21-14-7-8-15-22(21)26-25(29)23-16-9-17-27(23)18-19-10-3-1-4-11-19/h1-8,10-15,23H,9,16-18H2,(H,26,29)
InChIKeyIPSABLMEYFYEHS-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide (CID 2817619) is N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide is O=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1Cc1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide?
The InChIKey is IPSABLMEYFYEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24(20-12-5-2-6-13-20)21-14-7-8-15-22(21)26-25(29)23-16-9-17-27(23)18-19-10-3-1-4-11-19/h1-8,10-15,23H,9,16-18H2,(H,26,29).
What are the key properties of N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide?
N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2817619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).