4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide

C11H15FN2O2 — CID 116847967

IUPAC4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
SMILESCCOc1ccc(C(=O)NN(C)C)cc1F
InChIInChI=1S/C11H15FN2O2/c1-4-16-10-6-5-8(7-9(10)12)11(15)13-14(2)3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyMIBXDGSPAOOXRZ-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.43
Rot. Bonds4

About 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide

4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide (PubChem CID 116847967) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
PubChem CID116847967
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
SMILESCCOc1ccc(C(=O)NN(C)C)cc1F
InChIInChI=1S/C11H15FN2O2/c1-4-16-10-6-5-8(7-9(10)12)11(15)13-14(2)3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyMIBXDGSPAOOXRZ-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
CID 95441414
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
3-(4-ethoxy-3-fluorophenyl)-3-oxopropanenitrile
CID 116919053
(E)-3-(4-ethoxy-3-fluorophenyl)but-2-enoic acid
CID 82287324
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826759
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
CID 115993807
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide?
The IUPAC name of 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide (CID 116847967) is 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide is CCOc1ccc(C(=O)NN(C)C)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide?
The InChIKey is MIBXDGSPAOOXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-4-16-10-6-5-8(7-9(10)12)11(15)13-14(2)3/h5-7H,4H2,1-3H3,(H,13,15).
What are the key properties of 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide?
4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide has a molecular weight of 226.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 116847967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).