4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

C20H23ClN2O3 — CID 109147825

IUPAC4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C20H23ClN2O3/c1-13-11-16(21)8-9-18(13)23-20(25)15-6-4-14(5-7-15)19(24)22-12-17-3-2-10-26-17/h2-3,8-11,14-15H,4-7,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyVEWJFBSBVSGVRV-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.30
Rot. Bonds5

About 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147825) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147825
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C20H23ClN2O3/c1-13-11-16(21)8-9-18(13)23-20(25)15-6-4-14(5-7-15)19(24)22-12-17-3-2-10-26-17/h2-3,8-11,14-15H,4-7,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyVEWJFBSBVSGVRV-UHFFFAOYSA-N
XLogP4.30
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
N-(4-chloro-2-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
CID 108996274
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147874
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
2-N-(4-chloro-2-methylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085088
1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147946
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109147825) is 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is VEWJFBSBVSGVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-11-16(21)8-9-18(13)23-20(25)15-6-4-14(5-7-15)19(24)22-12-17-3-2-10-26-17/h2-3,8-11,14-15H,4-7,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 374.87 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).