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

C12H18FN3O2 — CID 64604122

IUPAC3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cccc(F)c1NN
InChIInChI=1S/C12H18FN3O2/c1-8(6-7-18-2)15-12(17)9-4-3-5-10(13)11(9)16-14/h3-5,8,16H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyDWXFWVJEURMOSQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.27
Rot. Bonds6

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

3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide (PubChem CID 64604122) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
PubChem CID64604122
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cccc(F)c1NN
InChIInChI=1S/C12H18FN3O2/c1-8(6-7-18-2)15-12(17)9-4-3-5-10(13)11(9)16-14/h3-5,8,16H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyDWXFWVJEURMOSQ-UHFFFAOYSA-N
XLogP1.27
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.27
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

N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 55258868
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
CID 64602204
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 63996800
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661470
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
CID 62661471

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide (CID 64604122) is 3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide is COCCC(C)NC(=O)c1cccc(F)c1NN.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide?
The InChIKey is DWXFWVJEURMOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-8(6-7-18-2)15-12(17)9-4-3-5-10(13)11(9)16-14/h3-5,8,16H,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide?
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide has a molecular weight of 255.29 g/mol, XLogP of 1.27, 6 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-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 64604122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).