(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C18H23FN2O2 — CID 39710585

IUPAC(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1
InChIInChI=1S/C18H23FN2O2/c1-12-6-8-14(9-7-12)20-18(23)13-10-17(22)21(11-13)16-5-3-2-4-15(16)19/h2-5,12-14H,6-11H2,1H3,(H,20,23)/t12?,13-,14?/m1/s1
InChIKeyCMVDRYHMZOZFQE-ROKHWSDSSA-N
MW318.39 g/mol
LogP2.87
Rot. Bonds3

About (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 39710585) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID39710585
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1
InChIInChI=1S/C18H23FN2O2/c1-12-6-8-14(9-7-12)20-18(23)13-10-17(22)21(11-13)16-5-3-2-4-15(16)19/h2-5,12-14H,6-11H2,1H3,(H,20,23)/t12?,13-,14?/m1/s1
InChIKeyCMVDRYHMZOZFQE-ROKHWSDSSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-methylcyclohexyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056308
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49074173
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94015320
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30844050
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55360345
methyl 2-[4-(cyclopropylcarbamoyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189115
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
(3R)-N-cyclopropyl-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40978163
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119474578
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 39710585) is (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CMVDRYHMZOZFQE-ROKHWSDSSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-12-6-8-14(9-7-12)20-18(23)13-10-17(22)21(11-13)16-5-3-2-4-15(16)19/h2-5,12-14H,6-11H2,1H3,(H,20,23)/t12?,13-,14?/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39710585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).