3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide

C12H16FN3O2 — CID 62824048

IUPAC3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
SMILESNNc1c(F)cccc1C(=O)NCC1CCOC1
InChIInChI=1S/C12H16FN3O2/c13-10-3-1-2-9(11(10)16-14)12(17)15-6-8-4-5-18-7-8/h1-3,8,16H,4-7,14H2,(H,15,17)
InChIKeyWQGZZDWFQBLECA-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.88
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide

3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 62824048) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID62824048
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
SMILESNNc1c(F)cccc1C(=O)NCC1CCOC1
InChIInChI=1S/C12H16FN3O2/c13-10-3-1-2-9(11(10)16-14)12(17)15-6-8-4-5-18-7-8/h1-3,8,16H,4-7,14H2,(H,15,17)
InChIKeyWQGZZDWFQBLECA-UHFFFAOYSA-N
XLogP0.88
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.88
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-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266
N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614955
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
CID 107120671
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
oxolan-3-ylmethyl 2,3-difluorobenzoate
CID 62865708
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 62824934
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide
CID 167495698

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide (CID 62824048) is 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide is NNc1c(F)cccc1C(=O)NCC1CCOC1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is WQGZZDWFQBLECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-10-3-1-2-9(11(10)16-14)12(17)15-6-8-4-5-18-7-8/h1-3,8,16H,4-7,14H2,(H,15,17).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide?
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 253.28 g/mol, XLogP of 0.88, 4 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-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 62824048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).