5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide

C21H24Cl2N2O4 — CID 146434248

IUPAC5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@H](C)c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C21H24Cl2N2O4/c1-11(12-7-13(22)9-14(23)8-12)19-17(10-18(29-19)21(28)24-2)20(27)25-15-3-5-16(26)6-4-15/h7-11,15-16,26H,3-6H2,1-2H3,(H,24,28)(H,25,27)/t11-,15?,16?/m1/s1
InChIKeySKIHBWCZXVQPNQ-VHWKEVPUSA-N
MW439.34 g/mol
LogP4.13
Rot. Bonds5

About 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide

5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide (PubChem CID 146434248) has the molecular formula C21H24Cl2N2O4 and a molecular weight of 439.34 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide.

Molecular Properties

Compound Name5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
PubChem CID146434248
Molecular FormulaC21H24Cl2N2O4
Molecular Weight439.34 g/mol
Exact Mass438.11
IUPAC Name5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@H](C)c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C21H24Cl2N2O4/c1-11(12-7-13(22)9-14(23)8-12)19-17(10-18(29-19)21(28)24-2)20(27)25-15-3-5-16(26)6-4-15/h7-11,15-16,26H,3-6H2,1-2H3,(H,24,28)(H,25,27)/t11-,15?,16?/m1/s1
InChIKeySKIHBWCZXVQPNQ-VHWKEVPUSA-N
XLogP4.13
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide with MolForge

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Related Compounds

5-[1-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide
CID 146434339
4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 162476845
2-[1-(3-chloro-4-methylphenyl)ethyl]-N-(4-hydroxycyclohexyl)-5-propanoylfuran-3-carboxamide
CID 163742577
5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
CID 111969627
N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
CID 163550541
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
CID 111744162
5-chloro-2-cyclopentyloxy-N-(4-hydroxycyclohexyl)benzamide
CID 111778241
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
CID 131943407
7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 23723269
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The IUPAC name of 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide (CID 146434248) is 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide.
What is the SMILES notation for 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The canonical SMILES for 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)c([C@H](C)c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
The InChIKey is SKIHBWCZXVQPNQ-VHWKEVPUSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4/c1-11(12-7-13(22)9-14(23)8-12)19-17(10-18(29-19)21(28)24-2)20(27)25-15-3-5-16(26)6-4-15/h7-11,15-16,26H,3-6H2,1-2H3,(H,24,28)(H,25,27)/t11-,15?,16?/m1/s1.
What are the key properties of 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide?
5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide has a molecular weight of 439.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-N-(4-hydroxycyclohexyl)-2-N-methylfuran-2,4-dicarboxamide is sourced from PubChem (CID 146434248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).