1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

C21H25ClN2O3 — CID 109147775

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H25ClN2O3/c22-18-9-3-15(4-10-18)11-12-23-20(25)16-5-7-17(8-6-16)21(26)24-14-19-2-1-13-27-19/h1-4,9-10,13,16-17H,5-8,11-12,14H2,(H,23,25)(H,24,26)
InChIKeyRCPFUCNPPIEGPO-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.71
Rot. Bonds7

About 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147775) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147775
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H25ClN2O3/c22-18-9-3-15(4-10-18)11-12-23-20(25)16-5-7-17(8-6-16)21(26)24-14-19-2-1-13-27-19/h1-4,9-10,13,16-17H,5-8,11-12,14H2,(H,23,25)(H,24,26)
InChIKeyRCPFUCNPPIEGPO-UHFFFAOYSA-N
XLogP3.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147825
4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147874
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109147775) is 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is RCPFUCNPPIEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-18-9-3-15(4-10-18)11-12-23-20(25)16-5-7-17(8-6-16)21(26)24-14-19-2-1-13-27-19/h1-4,9-10,13,16-17H,5-8,11-12,14H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 388.90 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).