(3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide

C21H27FN2O2 — CID 100906234

IUPAC(3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1F)[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H27FN2O2/c22-18-10-6-5-9-16(18)17-12-19(17)23-21(26)14-11-20(25)24(13-14)15-7-3-1-2-4-8-15/h5-6,9-10,14-15,17,19H,1-4,7-8,11-13H2,(H,23,26)/t14-,17-,19+/m0/s1
InChIKeyWDUYSUGLDHYNRA-UCLAIMLFSA-N
MW358.46 g/mol
LogP3.37
Rot. Bonds4

About (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 100906234) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID100906234
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name(3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1F)[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H27FN2O2/c22-18-10-6-5-9-16(18)17-12-19(17)23-21(26)14-11-20(25)24(13-14)15-7-3-1-2-4-8-15/h5-6,9-10,14-15,17,19H,1-4,7-8,11-13H2,(H,23,26)/t14-,17-,19+/m0/s1
InChIKeyWDUYSUGLDHYNRA-UCLAIMLFSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-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 (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide (CID 100906234) is (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide is O=C(N[C@@H]1C[C@H]1c1ccccc1F)[C@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WDUYSUGLDHYNRA-UCLAIMLFSA-N. The full InChI is InChI=1S/C21H27FN2O2/c22-18-10-6-5-9-16(18)17-12-19(17)23-21(26)14-11-20(25)24(13-14)15-7-3-1-2-4-8-15/h5-6,9-10,14-15,17,19H,1-4,7-8,11-13H2,(H,23,26)/t14-,17-,19+/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 100906234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).