5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide

C21H25ClN2O4 — CID 146434192

IUPAC5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H25ClN2O4/c1-12(13-3-5-14(22)6-4-13)19-17(11-18(28-19)21(27)23-2)20(26)24-15-7-9-16(25)10-8-15/h3-6,11-12,15-16,25H,7-10H2,1-2H3,(H,23,27)(H,24,26)/t12-,15?,16?/m0/s1
InChIKeyIJRRPKHAQDZDLL-JQRITLKVSA-N
MW404.89 g/mol
LogP3.48
Rot. Bonds5

About 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide

5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide (PubChem CID 146434192) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide.

Molecular Properties

Compound Name5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
PubChem CID146434192
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H25ClN2O4/c1-12(13-3-5-14(22)6-4-13)19-17(11-18(28-19)21(27)23-2)20(26)24-15-7-9-16(25)10-8-15/h3-6,11-12,15-16,25H,7-10H2,1-2H3,(H,23,27)(H,24,26)/t12-,15?,16?/m0/s1
InChIKeyIJRRPKHAQDZDLL-JQRITLKVSA-N
XLogP3.48
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
5-(4-chlorophenyl)-N-cyclohexyl-2-furamide
CID 18230215
5-[(1S)-1-(2-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434127
4-N-(4-hydroxycyclohexyl)-5-[(1S)-1-(3-methoxyphenyl)ethyl]-2-N-methylfuran-2,4-dicarboxamide
CID 146434128
4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide
CID 146434133
4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434135
5-[(1S)-1-(3-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434185
5-[(1S)-1-(3-fluorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434211
2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
CID 146434232
4-N-(4-methoxycyclohexyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434260
4-N-(2-hydroxyethyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434338

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The IUPAC name of 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide (CID 146434192) is 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide.
What is the SMILES notation for 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The canonical SMILES for 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@@H](C)c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The InChIKey is IJRRPKHAQDZDLL-JQRITLKVSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-12(13-3-5-14(22)6-4-13)19-17(11-18(28-19)21(27)23-2)20(26)24-15-7-9-16(25)10-8-15/h3-6,11-12,15-16,25H,7-10H2,1-2H3,(H,23,27)(H,24,26)/t12-,15?,16?/m0/s1.
What are the key properties of 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide has a molecular weight of 404.89 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide is sourced from PubChem (CID 146434192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).