2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide

C12H14F2N2O2 — CID 43017989

IUPAC2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c1-7(2)5-11(17)15-16-12(18)9-4-3-8(13)6-10(9)14/h3-4,6-7H,5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyWTOYBCDKBFLHEF-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.77
Rot. Bonds3

About 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide

2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide (PubChem CID 43017989) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide
PubChem CID43017989
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c1-7(2)5-11(17)15-16-12(18)9-4-3-8(13)6-10(9)14/h3-4,6-7H,5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyWTOYBCDKBFLHEF-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
2,4-difluoro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386169
N'-(4-chlorobenzoyl)-2,4-difluorobenzohydrazide
CID 8961402
2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide
CID 670449
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide?
The IUPAC name of 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide (CID 43017989) is 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide.
What is the SMILES notation for 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide?
The canonical SMILES for 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide is CC(C)CC(=O)NNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide?
The InChIKey is WTOYBCDKBFLHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-7(2)5-11(17)15-16-12(18)9-4-3-8(13)6-10(9)14/h3-4,6-7H,5H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide?
2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide has a molecular weight of 256.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N'-(3-methylbutanoyl)benzohydrazide is sourced from PubChem (CID 43017989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).