3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one

C20H20ClNO3 — CID 11405650

IUPAC3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one
SMILESCc1cc2oc(NC3CCCCC3)c(-c3ccc(Cl)cc3)c2c(=O)o1
InChIInChI=1S/C20H20ClNO3/c1-12-11-16-18(20(23)24-12)17(13-7-9-14(21)10-8-13)19(25-16)22-15-5-3-2-4-6-15/h7-11,15,22H,2-6H2,1H3
InChIKeyWHLWOQHVTLHUNO-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.76
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one

3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one (PubChem CID 11405650) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one
PubChem CID11405650
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one
SMILESCc1cc2oc(NC3CCCCC3)c(-c3ccc(Cl)cc3)c2c(=O)o1
InChIInChI=1S/C20H20ClNO3/c1-12-11-16-18(20(23)24-12)17(13-7-9-14(21)10-8-13)19(25-16)22-15-5-3-2-4-6-15/h7-11,15,22H,2-6H2,1H3
InChIKeyWHLWOQHVTLHUNO-UHFFFAOYSA-N
XLogP5.76
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-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-nitrophenyl)-4h-furo[3,2-c]pyran-4-one
CID 12024771
4-acetyl-2-(N-benzylamino)-5-methyl-3-phenylfuran
CID 15322817
2-(cyclohexylamino)-3-phenyl-4H-furo[3,2-c]chromen-4-one
CID 12024774
Dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
CID 15506557
Dimethyl 2-(2-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
CID 11773733
2-(Cyclohexylamino)-6-methyl-3-phenylfuro[3,2-c]pyran-4-one
CID 12024772
2-(Cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one
CID 12024773
4-acetyl-2-(N-cyclohexylamino)-5-methyl-3-phenylfuran
CID 15322819

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one (CID 11405650) is 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one is Cc1cc2oc(NC3CCCCC3)c(-c3ccc(Cl)cc3)c2c(=O)o1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one?
The InChIKey is WHLWOQHVTLHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-12-11-16-18(20(23)24-12)17(13-7-9-14(21)10-8-13)19(25-16)22-15-5-3-2-4-6-15/h7-11,15,22H,2-6H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one?
3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one has a molecular weight of 357.84 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(cyclohexylamino)-6-methylfuro[3,2-c]pyran-4-one is sourced from PubChem (CID 11405650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).