1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

C22H25FN2O2 — CID 42681251

IUPAC1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(F)c1
InChIInChI=1S/C22H25FN2O2/c1-15(2)12-24-21(26)20-14-25(22(27)16-7-4-3-5-8-16)13-19(20)17-9-6-10-18(23)11-17/h3-11,15,19-20H,12-14H2,1-2H3,(H,24,26)
InChIKeyPOHMPGQXAQCVKE-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.45
Rot. Bonds5

About 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 42681251) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID42681251
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(F)c1
InChIInChI=1S/C22H25FN2O2/c1-15(2)12-24-21(26)20-14-25(22(27)16-7-4-3-5-8-16)13-19(20)17-9-6-10-18(23)11-17/h3-11,15,19-20H,12-14H2,1-2H3,(H,24,26)
InChIKeyPOHMPGQXAQCVKE-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide 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 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 42681251) is 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(F)c1.
What is the InChIKey of 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is POHMPGQXAQCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(2)12-24-21(26)20-14-25(22(27)16-7-4-3-5-8-16)13-19(20)17-9-6-10-18(23)11-17/h3-11,15,19-20H,12-14H2,1-2H3,(H,24,26).
What are the key properties of 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-(3-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42681251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).