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

C23H27FN2O3 — CID 109149176

IUPAC4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c1-29-21-12-2-16(3-13-21)14-15-25-22(27)17-4-6-18(7-5-17)23(28)26-20-10-8-19(24)9-11-20/h2-3,8-13,17-18H,4-7,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyYEZMQOFFWQHJAR-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.94
Rot. Bonds7

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

4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109149176) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109149176
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c1-29-21-12-2-16(3-13-21)14-15-25-22(27)17-4-6-18(7-5-17)23(28)26-20-10-8-19(24)9-11-20/h2-3,8-13,17-18H,4-7,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyYEZMQOFFWQHJAR-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-cyanophenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149126
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149171
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16809626
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide (CID 109149176) is 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide is COc1ccc(CCNC(=O)C2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is YEZMQOFFWQHJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-29-21-12-2-16(3-13-21)14-15-25-22(27)17-4-6-18(7-5-17)23(28)26-20-10-8-19(24)9-11-20/h2-3,8-13,17-18H,4-7,14-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).