2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide

C20H22N2O2 — CID 121435576

IUPAC2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide
SMILESCCC(=O)N(C(=O)c1ccccc1-c1ccccc1)C1CCNC1
InChIInChI=1S/C20H22N2O2/c1-2-19(23)22(16-12-13-21-14-16)20(24)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-11,16,21H,2,12-14H2,1H3
InChIKeyKFRCTPRYRJLMFO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.09
Rot. Bonds4

About 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide

2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 121435576) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide
PubChem CID121435576
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide
SMILESCCC(=O)N(C(=O)c1ccccc1-c1ccccc1)C1CCNC1
InChIInChI=1S/C20H22N2O2/c1-2-19(23)22(16-12-13-21-14-16)20(24)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-11,16,21H,2,12-14H2,1H3
InChIKeyKFRCTPRYRJLMFO-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide (CID 121435576) is 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide is CCC(=O)N(C(=O)c1ccccc1-c1ccccc1)C1CCNC1.
What is the InChIKey of 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is KFRCTPRYRJLMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-19(23)22(16-12-13-21-14-16)20(24)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-11,16,21H,2,12-14H2,1H3.
What are the key properties of 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide?
2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 121435576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).