N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide

C20H21F3N2O2 — CID 154480486

IUPACN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2c(F)cc(F)cc2F)C(C)(C)C)c1
InChIInChI=1S/C20H21F3N2O2/c1-11-6-12(2)8-13(7-11)19(27)25(20(3,4)5)24-18(26)17-15(22)9-14(21)10-16(17)23/h6-10H,1-5H3,(H,24,26)
InChIKeyKFQLIYJWUXZZFL-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.31
Rot. Bonds2

About N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide (PubChem CID 154480486) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide
PubChem CID154480486
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2c(F)cc(F)cc2F)C(C)(C)C)c1
InChIInChI=1S/C20H21F3N2O2/c1-11-6-12(2)8-13(7-11)19(27)25(20(3,4)5)24-18(26)17-15(22)9-14(21)10-16(17)23/h6-10H,1-5H3,(H,24,26)
InChIKeyKFQLIYJWUXZZFL-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide 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)-2,4,6-trifluorobenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide (CID 154480486) is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide is Cc1cc(C)cc(C(=O)N(NC(=O)c2c(F)cc(F)cc2F)C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide?
The InChIKey is KFQLIYJWUXZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-11-6-12(2)8-13(7-11)19(27)25(20(3,4)5)24-18(26)17-15(22)9-14(21)10-16(17)23/h6-10H,1-5H3,(H,24,26).
What are the key properties of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide?
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide has a molecular weight of 378.39 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide is sourced from PubChem (CID 154480486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).