2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide

C18H14F6N2O4 — CID 2741322

IUPAC2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H14F6N2O4/c1-29-11-5-3-9(4-6-11)15(27)25-26-16(28)14-12(18(22,23)24)7-10(17(19,20)21)8-13(14)30-2/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKeyVUIAXBYVRXCRHT-UHFFFAOYSA-N
MW436.31 g/mol
LogP3.82
Rot. Bonds4

About 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide

2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide (PubChem CID 2741322) has the molecular formula C18H14F6N2O4 and a molecular weight of 436.31 g/mol. Its IUPAC name is 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide
PubChem CID2741322
Molecular FormulaC18H14F6N2O4
Molecular Weight436.31 g/mol
Exact Mass436.09
IUPAC Name2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H14F6N2O4/c1-29-11-5-3-9(4-6-11)15(27)25-26-16(28)14-12(18(22,23)24)7-10(17(19,20)21)8-13(14)30-2/h3-8H,1-2H3,(H,25,27)(H,26,28)
InChIKeyVUIAXBYVRXCRHT-UHFFFAOYSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide?
The IUPAC name of 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide (CID 2741322) is 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide?
The canonical SMILES for 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide?
The InChIKey is VUIAXBYVRXCRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O4/c1-29-11-5-3-9(4-6-11)15(27)25-26-16(28)14-12(18(22,23)24)7-10(17(19,20)21)8-13(14)30-2/h3-8H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide?
2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide has a molecular weight of 436.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(4-methoxybenzoyl)-4,6-bis(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 2741322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).