3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide

C16H23ClN2O2 — CID 76997828

IUPAC3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CC(Oc2ccc(C(N)=NO)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-10-6-12(9-16(2,3)8-10)21-14-5-4-11(7-13(14)17)15(18)19-20/h4-5,7,10,12,20H,6,8-9H2,1-3H3,(H2,18,19)
InChIKeyJXUUZQJZUHFWNK-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.03
Rot. Bonds3

About 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide

3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 76997828) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
PubChem CID76997828
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
SMILESCC1CC(Oc2ccc(C(N)=NO)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-10-6-12(9-16(2,3)8-10)21-14-5-4-11(7-13(14)17)15(18)19-20/h4-5,7,10,12,20H,6,8-9H2,1-3H3,(H2,18,19)
InChIKeyJXUUZQJZUHFWNK-UHFFFAOYSA-N
XLogP4.03
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.03
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'}

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Related Compounds

3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide
CID 77054310
3-chloro-4-(3,3,5-trimethylcyclohexyl)oxybenzoic acid
CID 63514188
5-fluoro-N'-hydroxy-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
CID 77004550
4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide
CID 63356624
5-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarbothioamide
CID 107929541
N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
CID 107109717
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
3-bromo-4-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 63457933
4-bromo-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarbothioamide
CID 114903690
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
5-fluoro-2-(3,3,5-trimethylcyclohexyl)oxybenzonitrile
CID 63668713
5-(trifluoromethyl)-2-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 43126976

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide (CID 76997828) is 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide is CC1CC(Oc2ccc(C(N)=NO)cc2Cl)CC(C)(C)C1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is JXUUZQJZUHFWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-10-6-12(9-16(2,3)8-10)21-14-5-4-11(7-13(14)17)15(18)19-20/h4-5,7,10,12,20H,6,8-9H2,1-3H3,(H2,18,19).
What are the key properties of 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide?
3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 310.83 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 76997828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).