dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate

C20H22ClNO5 — CID 15506557

IUPACdimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(-c2ccc(Cl)cc2)c1C(=O)OC
InChIInChI=1S/C20H22ClNO5/c1-25-19(23)15-16(20(24)26-2)18(22-14-6-4-3-5-7-14)27-17(15)12-8-10-13(21)11-9-12/h8-11,14,22H,3-7H2,1-2H3
InChIKeySHDGLWBLMYZAOJ-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.92
Rot. Bonds5

About dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate

dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate (PubChem CID 15506557) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
PubChem CID15506557
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Namedimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(-c2ccc(Cl)cc2)c1C(=O)OC
InChIInChI=1S/C20H22ClNO5/c1-25-19(23)15-16(20(24)26-2)18(22-14-6-4-3-5-7-14)27-17(15)12-8-10-13(21)11-9-12/h8-11,14,22H,3-7H2,1-2H3
InChIKeySHDGLWBLMYZAOJ-UHFFFAOYSA-N
XLogP4.92
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-Tert-butyl-2-methylfuran-3-carbonyl)amino]-3-(4-chlorophenyl)propanoic acid
CID 118727457
3-(4-Chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoic acid
CID 118727461
5-(4-chlorophenyl)-2-methyl-N-phenylfuran-3-carboxamide
CID 2742792
N-butyl-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651460
Dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate
CID 12995889
Dimethyl 2-(cyclohexylamino)-5-[4-(trifluoromethyl)phenyl]furan-3,4-dicarboxylate
CID 102155952
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methyl N-phenylcarbamate
CID 2742200
N-benzyl-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742825
5-(4-chlorophenyl)-N-cyclohexyl-2-methylfuran-3-carboxamide
CID 16651413
2-(Cyclohexylamino)-3-(4-chlorophenyl)-4h-furo[3,2-c]chromen-4-one
CID 11280858
2-(Cyclohexylamino)-6-methyl-3-(4-chlorophenyl)-4h-furo[3,2-c]pyran-4-one
CID 11405650
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate (CID 15506557) is dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate is COC(=O)c1c(NC2CCCCC2)oc(-c2ccc(Cl)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The InChIKey is SHDGLWBLMYZAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-25-19(23)15-16(20(24)26-2)18(22-14-6-4-3-5-7-14)27-17(15)12-8-10-13(21)11-9-12/h8-11,14,22H,3-7H2,1-2H3.
What are the key properties of dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate?
dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate has a molecular weight of 391.85 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate is sourced from PubChem (CID 15506557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).