5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide

C14H20ClNO3 — CID 65119319

IUPAC5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C14H20ClNO3/c1-13(2)5-7-14(18,8-6-13)9-16-12(17)10-3-4-11(15)19-10/h3-4,18H,5-9H2,1-2H3,(H,16,17)
InChIKeySFDVTYLAFJQKIB-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide

5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide (PubChem CID 65119319) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide
PubChem CID65119319
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C14H20ClNO3/c1-13(2)5-7-14(18,8-6-13)9-16-12(17)10-3-4-11(15)19-10/h3-4,18H,5-9H2,1-2H3,(H,16,17)
InChIKeySFDVTYLAFJQKIB-UHFFFAOYSA-N
XLogP2.99
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 65119553
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107372076
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
3-amino-4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117591
5-chloro-N-(1-methylcyclobutyl)furan-2-carboxamide
CID 71909913
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide (CID 65119319) is 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide is CC1(C)CCC(O)(CNC(=O)c2ccc(Cl)o2)CC1.
What is the InChIKey of 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide?
The InChIKey is SFDVTYLAFJQKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-13(2)5-7-14(18,8-6-13)9-16-12(17)10-3-4-11(15)19-10/h3-4,18H,5-9H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide?
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 65119319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).