4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide

C11H15F2N3O — CID 83025049

IUPAC4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
SMILESCCNc1c(F)cc(C(=O)NN(C)C)cc1F
InChIInChI=1S/C11H15F2N3O/c1-4-14-10-8(12)5-7(6-9(10)13)11(17)15-16(2)3/h5-6,14H,4H2,1-3H3,(H,15,17)
InChIKeyXEFXKOMAEAUJCG-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.60
Rot. Bonds4

About 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide

4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide (PubChem CID 83025049) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
PubChem CID83025049
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
SMILESCCNc1c(F)cc(C(=O)NN(C)C)cc1F
InChIInChI=1S/C11H15F2N3O/c1-4-14-10-8(12)5-7(6-9(10)13)11(17)15-16(2)3/h5-6,14H,4H2,1-3H3,(H,15,17)
InChIKeyXEFXKOMAEAUJCG-UHFFFAOYSA-N
XLogP1.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
4-(ethylamino)-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 63183722
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878
4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 63183718
N-ethyl-4-(ethylamino)-3,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63185704
4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
CID 116847967
N-(2-cyclopentylethyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63185372

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide (CID 83025049) is 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide is CCNc1c(F)cc(C(=O)NN(C)C)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide?
The InChIKey is XEFXKOMAEAUJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-4-14-10-8(12)5-7(6-9(10)13)11(17)15-16(2)3/h5-6,14H,4H2,1-3H3,(H,15,17).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide?
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide has a molecular weight of 243.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 83025049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).