4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

C19H20F2N2O3 — CID 109147874

IUPAC4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)C1CCC(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C19H20F2N2O3/c20-15-4-1-5-16(21)17(15)23-19(25)13-8-6-12(7-9-13)18(24)22-11-14-3-2-10-26-14/h1-5,10,12-13H,6-9,11H2,(H,22,24)(H,23,25)
InChIKeyGLAIIJFOFIIDLA-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.62
Rot. Bonds5

About 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147874) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147874
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)C1CCC(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C19H20F2N2O3/c20-15-4-1-5-16(21)17(15)23-19(25)13-8-6-12(7-9-13)18(24)22-11-14-3-2-10-26-14/h1-5,10,12-13H,6-9,11H2,(H,22,24)(H,23,25)
InChIKeyGLAIIJFOFIIDLA-UHFFFAOYSA-N
XLogP3.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147825
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109147874) is 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCc1ccco1)C1CCC(C(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is GLAIIJFOFIIDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c20-15-4-1-5-16(21)17(15)23-19(25)13-8-6-12(7-9-13)18(24)22-11-14-3-2-10-26-14/h1-5,10,12-13H,6-9,11H2,(H,22,24)(H,23,25).
What are the key properties of 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 362.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).