3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

C20H21F3N2O5 — CID 55616585

IUPAC3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C20H21F3N2O5/c1-3-10-29-16-9-8-13(11-17(16)28-2)19(27)25-24-18(26)12-30-15-7-5-4-6-14(15)20(21,22)23/h4-9,11H,3,10,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRQLYFCOPLVHNBQ-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.34
Rot. Bonds8

About 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (PubChem CID 55616585) has the molecular formula C20H21F3N2O5 and a molecular weight of 426.39 g/mol. Its IUPAC name is 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
PubChem CID55616585
Molecular FormulaC20H21F3N2O5
Molecular Weight426.39 g/mol
Exact Mass426.14
IUPAC Name3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C20H21F3N2O5/c1-3-10-29-16-9-8-13(11-17(16)28-2)19(27)25-24-18(26)12-30-15-7-5-4-6-14(15)20(21,22)23/h4-9,11H,3,10,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRQLYFCOPLVHNBQ-UHFFFAOYSA-N
XLogP3.34
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
3-methoxy-N'-[2-(4-phenylphenyl)acetyl]-4-propoxybenzohydrazide
CID 25443034
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-(2,4-difluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440206
N'-[2-(2-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 1047417
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The IUPAC name of 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (CID 55616585) is 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.
What is the SMILES notation for 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The canonical SMILES for 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is CCCOc1ccc(C(=O)NNC(=O)COc2ccccc2C(F)(F)F)cc1OC.
What is the InChIKey of 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The InChIKey is RQLYFCOPLVHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O5/c1-3-10-29-16-9-8-13(11-17(16)28-2)19(27)25-24-18(26)12-30-15-7-5-4-6-14(15)20(21,22)23/h4-9,11H,3,10,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide has a molecular weight of 426.39 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is sourced from PubChem (CID 55616585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).