4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide

C20H29FN2O2 — CID 109149058

IUPAC4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C20H29FN2O2/c1-3-23(4-2)20(25)17-11-9-16(10-12-17)19(24)22-14-13-15-7-5-6-8-18(15)21/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,22,24)
InChIKeyHOFLFRYOSDZFFX-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.16
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109149058) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109149058
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C20H29FN2O2/c1-3-23(4-2)20(25)17-11-9-16(10-12-17)19(24)22-14-13-15-7-5-6-8-18(15)21/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,22,24)
InChIKeyHOFLFRYOSDZFFX-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149303
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148209
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 113004651
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide (CID 109149058) is 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide is CCN(CC)C(=O)C1CCC(C(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is HOFLFRYOSDZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-3-23(4-2)20(25)17-11-9-16(10-12-17)19(24)22-14-13-15-7-5-6-8-18(15)21/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,22,24).
What are the key properties of 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).