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

C20H22ClNO5 — CID 11773733

IUPACdimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(-c2ccccc2Cl)c1C(=O)OC
InChIInChI=1S/C20H22ClNO5/c1-25-19(23)15-16(20(24)26-2)18(22-12-8-4-3-5-9-12)27-17(15)13-10-6-7-11-14(13)21/h6-7,10-12,22H,3-5,8-9H2,1-2H3
InChIKeySAUZCZXILVVEMF-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.92
Rot. Bonds5

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

dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate (PubChem CID 11773733) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
PubChem CID11773733
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Namedimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(-c2ccccc2Cl)c1C(=O)OC
InChIInChI=1S/C20H22ClNO5/c1-25-19(23)15-16(20(24)26-2)18(22-12-8-4-3-5-9-12)27-17(15)13-10-6-7-11-14(13)21/h6-7,10-12,22H,3-5,8-9H2,1-2H3
InChIKeySAUZCZXILVVEMF-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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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate (CID 11773733) is dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate is COC(=O)c1c(NC2CCCCC2)oc(-c2ccccc2Cl)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The InChIKey is SAUZCZXILVVEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-25-19(23)15-16(20(24)26-2)18(22-12-8-4-3-5-9-12)27-17(15)13-10-6-7-11-14(13)21/h6-7,10-12,22H,3-5,8-9H2,1-2H3.
What are the key properties of dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate?
dimethyl 2-(2-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-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate is sourced from PubChem (CID 11773733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).