3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide

C12H15F2N3O2 — CID 82737326

IUPAC3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C12H15F2N3O2/c1-6-10(2-3-19-6)16-12(18)7-4-8(13)11(17-15)9(14)5-7/h4-6,10,17H,2-3,15H2,1H3,(H,16,18)
InChIKeyDLEVBCXMEVWTQZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.16
Rot. Bonds3

About 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide

3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82737326) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82737326
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C12H15F2N3O2/c1-6-10(2-3-19-6)16-12(18)7-4-8(13)11(17-15)9(14)5-7/h4-6,10,17H,2-3,15H2,1H3,(H,16,18)
InChIKeyDLEVBCXMEVWTQZ-UHFFFAOYSA-N
XLogP1.16
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.16
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

3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82729062
N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 114505992
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
CID 82725612
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 130703611
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520
N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 79873342
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide (CID 82737326) is 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is DLEVBCXMEVWTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-6-10(2-3-19-6)16-12(18)7-4-8(13)11(17-15)9(14)5-7/h4-6,10,17H,2-3,15H2,1H3,(H,16,18).
What are the key properties of 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide?
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 271.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82737326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).