3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide

C13H18FN3O2 — CID 113491319

IUPAC3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2cccc(F)c2NN)CCOCC1
InChIInChI=1S/C13H18FN3O2/c1-13(5-7-19-8-6-13)16-12(18)9-3-2-4-10(14)11(9)17-15/h2-4,17H,5-8,15H2,1H3,(H,16,18)
InChIKeyORZBPWFRKSOEBO-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.41
Rot. Bonds3

About 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide

3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide (PubChem CID 113491319) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide
PubChem CID113491319
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2cccc(F)c2NN)CCOCC1
InChIInChI=1S/C13H18FN3O2/c1-13(5-7-19-8-6-13)16-12(18)9-3-2-4-10(14)11(9)17-15/h2-4,17H,5-8,15H2,1H3,(H,16,18)
InChIKeyORZBPWFRKSOEBO-UHFFFAOYSA-N
XLogP1.41
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.41
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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Related Compounds

2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499533
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
CID 115937216
2-(methylamino)-N-(4-methyloxan-4-yl)-3-nitrobenzamide
CID 104773319
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide
CID 105072489
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
CID 113322134
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 55258868

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide (CID 113491319) is 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide is CC1(NC(=O)c2cccc(F)c2NN)CCOCC1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide?
The InChIKey is ORZBPWFRKSOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-13(5-7-19-8-6-13)16-12(18)9-3-2-4-10(14)11(9)17-15/h2-4,17H,5-8,15H2,1H3,(H,16,18).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide?
3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide has a molecular weight of 267.30 g/mol, XLogP of 1.41, 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-(4-methyloxan-4-yl)benzamide is sourced from PubChem (CID 113491319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).