3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide

C14H20FN3O2 — CID 102636872

IUPAC3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(F)c1NN)C1CCCCC1O
InChIInChI=1S/C14H20FN3O2/c1-18(11-7-2-3-8-12(11)19)14(20)9-5-4-6-10(15)13(9)17-16/h4-6,11-12,17,19H,2-3,7-8,16H2,1H3
InChIKeyRGCDUBQUDXOMCN-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.49
Rot. Bonds3

About 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide

3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide (PubChem CID 102636872) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide
PubChem CID102636872
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(F)c1NN)C1CCCCC1O
InChIInChI=1S/C14H20FN3O2/c1-18(11-7-2-3-8-12(11)19)14(20)9-5-4-6-10(15)13(9)17-16/h4-6,11-12,17,19H,2-3,7-8,16H2,1H3
InChIKeyRGCDUBQUDXOMCN-UHFFFAOYSA-N
XLogP1.49
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide (CID 102636872) is 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide is CN(C(=O)c1cccc(F)c1NN)C1CCCCC1O.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The InChIKey is RGCDUBQUDXOMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-18(11-7-2-3-8-12(11)19)14(20)9-5-4-6-10(15)13(9)17-16/h4-6,11-12,17,19H,2-3,7-8,16H2,1H3.
What are the key properties of 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide has a molecular weight of 281.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 102636872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).