5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide

C16H23FN2O2 — CID 77004550

IUPAC5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CC(Oc2ccc(F)cc2C(N)=NO)CC(C)(C)C1
InChIInChI=1S/C16H23FN2O2/c1-10-6-12(9-16(2,3)8-10)21-14-5-4-11(17)7-13(14)15(18)19-20/h4-5,7,10,12,20H,6,8-9H2,1-3H3,(H2,18,19)
InChIKeyXHELDPFCMLNPAF-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.51
Rot. Bonds3

About 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide

5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 77004550) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
PubChem CID77004550
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CC(Oc2ccc(F)cc2C(N)=NO)CC(C)(C)C1
InChIInChI=1S/C16H23FN2O2/c1-10-6-12(9-16(2,3)8-10)21-14-5-4-11(17)7-13(14)15(18)19-20/h4-5,7,10,12,20H,6,8-9H2,1-3H3,(H2,18,19)
InChIKeyXHELDPFCMLNPAF-UHFFFAOYSA-N
XLogP3.51
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
CID 76997828
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
5-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarbothioamide
CID 107929541
N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
CID 107109717
5-fluoro-2-(3,3,5-trimethylcyclohexyl)oxybenzonitrile
CID 63668713
(1S)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
CID 78937921
(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
CID 63369654
3-(difluoromethyl)-4-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 63736558
3-bromo-4-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 63457933
5-(trifluoromethyl)-2-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 43126976
1-[5-bromo-2-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanone
CID 82971519
4-bromo-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarbothioamide
CID 114903690

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide (CID 77004550) is 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide is CC1CC(Oc2ccc(F)cc2C(N)=NO)CC(C)(C)C1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is XHELDPFCMLNPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10-6-12(9-16(2,3)8-10)21-14-5-4-11(17)7-13(14)15(18)19-20/h4-5,7,10,12,20H,6,8-9H2,1-3H3,(H2,18,19).
What are the key properties of 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 294.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 77004550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).