2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide

C14H20ClNO3 — CID 106686929

IUPAC2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C14H20ClNO3/c1-13(2)4-6-14(18,7-5-13)9-16-12(17)10-3-8-19-11(10)15/h3,8,18H,4-7,9H2,1-2H3,(H,16,17)
InChIKeyZOHLAPBVTBAPDK-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.99
Rot. Bonds3

About 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide

2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide (PubChem CID 106686929) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
PubChem CID106686929
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C14H20ClNO3/c1-13(2)4-6-14(18,7-5-13)9-16-12(17)10-3-8-19-11(10)15/h3,8,18H,4-7,9H2,1-2H3,(H,16,17)
InChIKeyZOHLAPBVTBAPDK-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

2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
CID 106690116
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
CID 106812376
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide
CID 65119319
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
CID 111444909
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65119604
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107372076
N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-2-trimethylsilylfuran-3-carboxamide
CID 166375841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide (CID 106686929) is 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide is CC1(C)CCC(O)(CNC(=O)c2ccoc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide?
The InChIKey is ZOHLAPBVTBAPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-13(2)4-6-14(18,7-5-13)9-16-12(17)10-3-8-19-11(10)15/h3,8,18H,4-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide?
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-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 2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106686929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).