3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide

C18H17F3N2O6 — CID 2121805

IUPAC3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H17F3N2O6/c1-26-13-8-11(9-14(27-2)15(13)28-3)17(25)23-22-16(24)10-4-6-12(7-5-10)29-18(19,20)21/h4-9H,1-3H3,(H,22,24)(H,23,25)
InChIKeyKSHOQABWPDXNCO-UHFFFAOYSA-N
MW414.34 g/mol
LogP2.69
Rot. Bonds6

About 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide

3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (PubChem CID 2121805) has the molecular formula C18H17F3N2O6 and a molecular weight of 414.34 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
PubChem CID2121805
Molecular FormulaC18H17F3N2O6
Molecular Weight414.34 g/mol
Exact Mass414.10
IUPAC Name3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H17F3N2O6/c1-26-13-8-11(9-14(27-2)15(13)28-3)17(25)23-22-16(24)10-4-6-12(7-5-10)29-18(19,20)21/h4-9H,1-3H3,(H,22,24)(H,23,25)
InChIKeyKSHOQABWPDXNCO-UHFFFAOYSA-N
XLogP2.69
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (CID 2121805) is 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is COc1cc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The InChIKey is KSHOQABWPDXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O6/c1-26-13-8-11(9-14(27-2)15(13)28-3)17(25)23-22-16(24)10-4-6-12(7-5-10)29-18(19,20)21/h4-9H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide has a molecular weight of 414.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 2121805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).