N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide

C23H29FN2O5 — CID 118974887

IUPACN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide
SMILESCOCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c(F)c1COO
InChIInChI=1S/C23H29FN2O5/c1-14-9-15(2)11-17(10-14)22(28)26(23(3,4)5)25-21(27)18-8-7-16(12-30-6)19(13-31-29)20(18)24/h7-11,29H,12-13H2,1-6H3,(H,25,27)
InChIKeyDPBVOMDOYKBJCY-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.16
Rot. Bonds6

About N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide (PubChem CID 118974887) has the molecular formula C23H29FN2O5 and a molecular weight of 432.49 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide
PubChem CID118974887
Molecular FormulaC23H29FN2O5
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide
SMILESCOCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c(F)c1COO
InChIInChI=1S/C23H29FN2O5/c1-14-9-15(2)11-17(10-14)22(28)26(23(3,4)5)25-21(27)18-8-7-16(12-30-6)19(13-31-29)20(18)24/h7-11,29H,12-13H2,1-6H3,(H,25,27)
InChIKeyDPBVOMDOYKBJCY-UHFFFAOYSA-N
XLogP4.16
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide (CID 118974887) is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide is COCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c(F)c1COO.
What is the InChIKey of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide?
The InChIKey is DPBVOMDOYKBJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O5/c1-14-9-15(2)11-17(10-14)22(28)26(23(3,4)5)25-21(27)18-8-7-16(12-30-6)19(13-31-29)20(18)24/h7-11,29H,12-13H2,1-6H3,(H,25,27).
What are the key properties of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide?
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide has a molecular weight of 432.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide is sourced from PubChem (CID 118974887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).