3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C12H16F2N4O2 — CID 63185740

IUPAC3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C12H16F2N4O2/c1-6(2)17-10(19)5-16-12(20)7-3-8(13)11(18-15)9(14)4-7/h3-4,6,18H,5,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyADSQPXIRUXCRDU-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.50
Rot. Bonds5

About 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 63185740) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID63185740
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C12H16F2N4O2/c1-6(2)17-10(19)5-16-12(20)7-3-8(13)11(18-15)9(14)4-7/h3-4,6,18H,5,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyADSQPXIRUXCRDU-UHFFFAOYSA-N
XLogP0.50
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.50
H-Bond Donors ≤ 54
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

4-amino-3-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 62678517
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
2-(4-carbamothioyl-2,6-difluoroanilino)-N-propan-2-ylacetamide
CID 81286543
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186654
3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63186296
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186049
3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340860
3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide
CID 63186596
3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
CID 63186090
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63184835

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 63185740) is 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CNC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is ADSQPXIRUXCRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2/c1-6(2)17-10(19)5-16-12(20)7-3-8(13)11(18-15)9(14)4-7/h3-4,6,18H,5,15H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 286.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 63185740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).