3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide

C17H16F2N2O4 — CID 26187379

IUPAC3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H16F2N2O4/c1-2-24-13-8-6-11(7-9-13)15(22)20-21-16(23)12-4-3-5-14(10-12)25-17(18)19/h3-10,17H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyMOIDEPXMHOJGRR-UHFFFAOYSA-N
MW350.32 g/mol
LogP2.76
Rot. Bonds6

About 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide

3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide (PubChem CID 26187379) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
PubChem CID26187379
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC Name3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H16F2N2O4/c1-2-24-13-8-6-11(7-9-13)15(22)20-21-16(23)12-4-3-5-14(10-12)25-17(18)19/h3-10,17H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyMOIDEPXMHOJGRR-UHFFFAOYSA-N
XLogP2.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925305
N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
CID 7945561
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846150
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
(E)-1-[3-(difluoromethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 19541061
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
3-ethoxy-N-[[(4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4957781
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide?
The IUPAC name of 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide (CID 26187379) is 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide?
The canonical SMILES for 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide?
The InChIKey is MOIDEPXMHOJGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-2-24-13-8-6-11(7-9-13)15(22)20-21-16(23)12-4-3-5-14(10-12)25-17(18)19/h3-10,17H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide?
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide has a molecular weight of 350.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide is sourced from PubChem (CID 26187379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).