N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide

C16H21F2NO2 — CID 53345259

IUPACN-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
SMILESCC1(C)CC(O)CC(C)(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H21F2NO2/c1-15(2)7-13(20)8-16(3,9-15)14(21)19-12-5-10(17)4-11(18)6-12/h4-6,13,20H,7-9H2,1-3H3,(H,19,21)
InChIKeyVJSDPHMANKBNKU-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.48
Rot. Bonds2

About N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide

N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide (PubChem CID 53345259) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
PubChem CID53345259
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC NameN-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
SMILESCC1(C)CC(O)CC(C)(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H21F2NO2/c1-15(2)7-13(20)8-16(3,9-15)14(21)19-12-5-10(17)4-11(18)6-12/h4-6,13,20H,7-9H2,1-3H3,(H,19,21)
InChIKeyVJSDPHMANKBNKU-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,9,9-trifluoro-8-hydroxy-N-(3-phenylphenyl)nonanamide
CID 44343045
(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide
CID 138964159
N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
CID 3873265
1-[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
CID 53345141
5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 53345143
N-(3-chloro-5-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
CID 53345260
N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
CID 53345261
N-[3-chloro-5-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
CID 53345368
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
CID 53345369
N-(4-chloro-3-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
CID 53345373
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
CID 53345375

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide (CID 53345259) is N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide is CC1(C)CC(O)CC(C)(C(=O)Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is VJSDPHMANKBNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-15(2)7-13(20)8-16(3,9-15)14(21)19-12-5-10(17)4-11(18)6-12/h4-6,13,20H,7-9H2,1-3H3,(H,19,21).
What are the key properties of N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 53345259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).