(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C20H25FN2O2 — CID 124824135

IUPAC(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H25FN2O2/c1-12(18-8-13-5-6-14(18)7-13)22-20(25)15-9-19(24)23(11-15)17-4-2-3-16(21)10-17/h2-4,10,12-15,18H,5-9,11H2,1H3,(H,22,25)/t12-,13-,14-,15-,18-/m0/s1
InChIKeyGUTGUUPMHXCEQV-PQKJENKHSA-N
MW344.43 g/mol
LogP3.12
Rot. Bonds4

About (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124824135) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124824135
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H25FN2O2/c1-12(18-8-13-5-6-14(18)7-13)22-20(25)15-9-19(24)23(11-15)17-4-2-3-16(21)10-17/h2-4,10,12-15,18H,5-9,11H2,1H3,(H,22,25)/t12-,13-,14-,15-,18-/m0/s1
InChIKeyGUTGUUPMHXCEQV-PQKJENKHSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-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

Related Compounds

(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 124729471
N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46705199
(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 51597920
(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 51597921
(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 124825448
(3R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124824222
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 98512887
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
methyl 2-[[1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113190189
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
CID 98785559

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 124824135) is (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GUTGUUPMHXCEQV-PQKJENKHSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-12(18-8-13-5-6-14(18)7-13)22-20(25)15-9-19(24)23(11-15)17-4-2-3-16(21)10-17/h2-4,10,12-15,18H,5-9,11H2,1H3,(H,22,25)/t12-,13-,14-,15-,18-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124824135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).