cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide

C23H23FN2O2 — CID 124865903

IUPACcis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C23H23FN2O2/c24-20-9-5-4-8-16(20)18-11-19(18)23(28)25-15-10-22(27)26(13-15)21-12-17(21)14-6-2-1-3-7-14/h1-9,15,17-19,21H,10-13H2,(H,25,28)/t15-,17-,18+,19+,21-/m1/s1
InChIKeyHOIOREDBVZHIOE-VEYVCITQSA-N
MW378.45 g/mol
LogP3.20
Rot. Bonds5

About cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 124865903) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID124865903
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Namecis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C23H23FN2O2/c24-20-9-5-4-8-16(20)18-11-19(18)23(28)25-15-10-22(27)26(13-15)21-12-17(21)14-6-2-1-3-7-14/h1-9,15,17-19,21H,10-13H2,(H,25,28)/t15-,17-,18+,19+,21-/m1/s1
InChIKeyHOIOREDBVZHIOE-VEYVCITQSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-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

N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 154841420
1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
CID 124507736
4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
6-[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122054063
3-[[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031637
(4R)-4-amino-1-[(1R,2S)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 94003407
2-(2-nitrophenoxy)-N-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]acetamide
CID 95782401
4-[(2-fluoro-4-pyridin-4-ylphenyl)methylamino]-1-(2-phenylcyclopropyl)pyrrolidin-2-one
CID 166200491
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134037511
6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166216719

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 124865903) is cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide is O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is HOIOREDBVZHIOE-VEYVCITQSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-20-9-5-4-8-16(20)18-11-19(18)23(28)25-15-10-22(27)26(13-15)21-12-17(21)14-6-2-1-3-7-14/h1-9,15,17-19,21H,10-13H2,(H,25,28)/t15-,17-,18+,19+,21-/m1/s1.
What are the key properties of cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124865903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).