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

C21H23F3N2O6 — CID 43002106

IUPAC3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H23F3N2O6/c1-4-29-16-11-14(12-17(30-5-2)18(16)31-6-3)20(28)26-25-19(27)13-7-9-15(10-8-13)32-21(22,23)24/h7-12H,4-6H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyQMSINACNCIXKTP-UHFFFAOYSA-N
MW456.42 g/mol
LogP3.86
Rot. Bonds9

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

3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (PubChem CID 43002106) has the molecular formula C21H23F3N2O6 and a molecular weight of 456.42 g/mol. Its IUPAC name is 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
PubChem CID43002106
Molecular FormulaC21H23F3N2O6
Molecular Weight456.42 g/mol
Exact Mass456.15
IUPAC Name3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H23F3N2O6/c1-4-29-16-11-14(12-17(30-5-2)18(16)31-6-3)20(28)26-25-19(27)13-7-9-15(10-8-13)32-21(22,23)24/h7-12H,4-6H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyQMSINACNCIXKTP-UHFFFAOYSA-N
XLogP3.86
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 53.86
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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Related Compounds

3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2121805
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
CID 55834203
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 26586710
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The IUPAC name of 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (CID 43002106) is 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The InChIKey is QMSINACNCIXKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O6/c1-4-29-16-11-14(12-17(30-5-2)18(16)31-6-3)20(28)26-25-19(27)13-7-9-15(10-8-13)32-21(22,23)24/h7-12H,4-6H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide has a molecular weight of 456.42 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 43002106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).