3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide

C11H15F2N3O — CID 63186596

IUPAC3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C11H15F2N3O/c1-6(2)16(3)11(17)7-4-8(12)10(15-14)9(13)5-7/h4-6,15H,14H2,1-3H3
InChIKeyUVHIJCQEBHDJKL-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.73
Rot. Bonds3

About 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide

3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide (PubChem CID 63186596) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide
PubChem CID63186596
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C11H15F2N3O/c1-6(2)16(3)11(17)7-4-8(12)10(15-14)9(13)5-7/h4-6,15H,14H2,1-3H3
InChIKeyUVHIJCQEBHDJKL-UHFFFAOYSA-N
XLogP1.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide
CID 63187095
3,5-diamino-N-methyl-N-propan-2-ylbenzamide
CID 61089982
N-(cyclopentylmethyl)-3,5-difluoro-4-hydrazinyl-N-methylbenzamide
CID 63656584
3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63185740
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287
3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340860
2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide
CID 174277483
3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
CID 63185592
4,5,6-trihydroxy-N-methyl-3-oxo-N-propan-2-ylcyclohepta-1,4,6-triene-1-carboxamide
CID 177386090
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide (CID 63186596) is 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is UVHIJCQEBHDJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-6(2)16(3)11(17)7-4-8(12)10(15-14)9(13)5-7/h4-6,15H,14H2,1-3H3.
What are the key properties of 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide?
3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 243.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 63186596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).