4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide

C18H23FN2O3 — CID 166379199

IUPAC4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)C1CCN(C(=O)C2(C)CCCO2)C1
InChIInChI=1S/C18H23FN2O3/c1-18(9-3-11-24-18)17(23)21-10-8-15(12-21)20(2)16(22)13-4-6-14(19)7-5-13/h4-7,15H,3,8-12H2,1-2H3
InChIKeyRAAUPJLSTJDCQD-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.07
Rot. Bonds3

About 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide

4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 166379199) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID166379199
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)C1CCN(C(=O)C2(C)CCCO2)C1
InChIInChI=1S/C18H23FN2O3/c1-18(9-3-11-24-18)17(23)21-10-8-15(12-21)20(2)16(22)13-4-6-14(19)7-5-13/h4-7,15H,3,8-12H2,1-2H3
InChIKeyRAAUPJLSTJDCQD-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326625
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane
CID 158245058
(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70711001
3-fluoro-N-[(4R)-1-(3-fluorobenzoyl)azepan-4-yl]-N-methylbenzamide
CID 97060954
2-(4-fluorophenyl)-N-methyl-N-[1-(4-morpholin-4-ylbenzoyl)pyrrolidin-3-yl]acetamide
CID 143913000
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-fluoro-N-methylbenzamide
CID 134702857
N-cyclopentyl-N-methyl-4-morpholin-4-ylbenzamide
CID 43910092
N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 55468966
4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
CID 12883727
[(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone
CID 157475662
N-[(3R)-1-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10027282

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide (CID 166379199) is 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide is CN(C(=O)c1ccc(F)cc1)C1CCN(C(=O)C2(C)CCCO2)C1.
What is the InChIKey of 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is RAAUPJLSTJDCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-18(9-3-11-24-18)17(23)21-10-8-15(12-21)20(2)16(22)13-4-6-14(19)7-5-13/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide?
4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 334.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[1-(2-methyloxolane-2-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 166379199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).