(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

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Related Compounds

(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 166541825
N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257415
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395

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).