1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide

C21H29FN2O3 — CID 55731272

IUPAC1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C21H29FN2O3/c1-23(14-15-27-18-11-9-17(22)10-12-18)21(26)19-8-5-13-24(19)20(25)16-6-3-2-4-7-16/h9-12,16,19H,2-8,13-15H2,1H3
InChIKeyRFMZZCNEDZNCMR-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.23
Rot. Bonds6

About 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 55731272) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID55731272
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C21H29FN2O3/c1-23(14-15-27-18-11-9-17(22)10-12-18)21(26)19-8-5-13-24(19)20(25)16-6-3-2-4-7-16/h9-12,16,19H,2-8,13-15H2,1H3
InChIKeyRFMZZCNEDZNCMR-UHFFFAOYSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 31793508
1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide
CID 110086680
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55870530
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
3-cyclohexyl-1-[2-(4-fluorophenoxy)ethyl]-1-methylthiourea
CID 9241354
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
(2R)-1-[2-[3-(4-fluorophenoxy)propyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914065
trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide
CID 99849846
methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
CID 60520937

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide (CID 55731272) is 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RFMZZCNEDZNCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-23(14-15-27-18-11-9-17(22)10-12-18)21(26)19-8-5-13-24(19)20(25)16-6-3-2-4-7-16/h9-12,16,19H,2-8,13-15H2,1H3.
What are the key properties of 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55731272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).