1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide

C21H31FN2O2 — CID 109149096

IUPAC1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN2O2/c1-15(2)11-13-23-20(25)17-5-7-18(8-6-17)21(26)24-14-12-16-3-9-19(22)10-4-16/h3-4,9-10,15,17-18H,5-8,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGYBFCSOCIFAVAJ-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.45
Rot. Bonds8

About 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide

1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149096) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149096
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN2O2/c1-15(2)11-13-23-20(25)17-5-7-18(8-6-17)21(26)24-14-12-16-3-9-19(22)10-4-16/h3-4,9-10,15,17-18H,5-8,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGYBFCSOCIFAVAJ-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 9374348
1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 17081606
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146241
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide (CID 109149096) is 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide is CC(C)CCNC(=O)C1CCC(C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is GYBFCSOCIFAVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-15(2)11-13-23-20(25)17-5-7-18(8-6-17)21(26)24-14-12-16-3-9-19(22)10-4-16/h3-4,9-10,15,17-18H,5-8,11-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 362.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).