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

C20H22FNO5 — CID 12995889

IUPACdimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(-c2ccc(F)cc2)c1C(=O)OC
InChIInChI=1S/C20H22FNO5/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
InChIKeyLCQMUCLCIRAZSB-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.40
Rot. Bonds5

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

dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate (PubChem CID 12995889) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate
PubChem CID12995889
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Namedimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(-c2ccc(F)cc2)c1C(=O)OC
InChIInChI=1S/C20H22FNO5/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
InChIKeyLCQMUCLCIRAZSB-UHFFFAOYSA-N
XLogP4.40
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-{5-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-4H,5H-furo[3,2-C]pyridine-3-amido}benzoate
CID 71838290
3-[(5-Tert-butyl-2-methylfuran-3-carbonyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 118727456
3-(4-fluorophenyl)-2-((2-methoxyethyl)amino)-8-methyl-4H-furo[3,2-c]chromen-4-one
CID 16462218
3-(4-Fluorophenyl)-7-methyl-2-phenyl-furo[2,3-b]pyridin-4-one
CID 45119787
Dimethyl 2-(cyclohexylamino)-5-[4-(trifluoromethyl)phenyl]furan-3,4-dicarboxylate
CID 102155952
Methyl 5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenyl-2-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
CID 135054499
2-(Cyclohexylamino)-6-methyl-3-(4-chlorophenyl)-4h-furo[3,2-c]pyran-4-one
CID 11405650
Dimethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate
CID 11516935
2-(Cyclohexylamino)-6-methyl-3-(4-nitrophenyl)-4h-furo[3,2-c]pyran-4-one
CID 12024771
2-(Cyclohexylamino)-3-(4-methoxyphenyl)-4h-furo[3,2-c]chromen-4-one
CID 12024775
4-acetyl-2-(N-benzylamino)-5-methyl-3-phenylfuran
CID 15322817
Diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate
CID 16751971

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate (CID 12995889) is dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate is COC(=O)c1c(NC2CCCCC2)oc(-c2ccc(F)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate?
The InChIKey is LCQMUCLCIRAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/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-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate?
dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate has a molecular weight of 375.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate is sourced from PubChem (CID 12995889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).