(3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H25FN2O2 — CID 25485796

IUPAC(3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C21H25FN2O2/c22-17-3-1-2-4-18(17)24-12-16(8-19(24)25)20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-16H,5-12H2,(H,23,26)/t13?,14?,15?,16-,21?/m0/s1
InChIKeyWSHREKUCXQFAIS-IIFATDLDSA-N
MW356.44 g/mol
LogP3.26
Rot. Bonds3

About (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 25485796) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID25485796
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C21H25FN2O2/c22-17-3-1-2-4-18(17)24-12-16(8-19(24)25)20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-16H,5-12H2,(H,23,26)/t13?,14?,15?,16-,21?/m0/s1
InChIKeyWSHREKUCXQFAIS-IIFATDLDSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578035
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 39710585
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 25485796) is (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WSHREKUCXQFAIS-IIFATDLDSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-17-3-1-2-4-18(17)24-12-16(8-19(24)25)20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-16H,5-12H2,(H,23,26)/t13?,14?,15?,16-,21?/m0/s1.
What are the key properties of (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25485796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).