N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide

C21H23F3N2O2 — CID 19752729

IUPACN'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
SMILESCc1ccc(C(=O)N(C)N(C(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)C)cc1
InChIInChI=1S/C21H23F3N2O2/c1-14-6-8-15(9-7-14)18(27)25(5)26(20(2,3)4)19(28)16-10-12-17(13-11-16)21(22,23)24/h6-13H,1-5H3
InChIKeyAEFGXMJVMWSBPS-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.94
Rot. Bonds2

About N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide

N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide (PubChem CID 19752729) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
PubChem CID19752729
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
SMILESCc1ccc(C(=O)N(C)N(C(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)C)cc1
InChIInChI=1S/C21H23F3N2O2/c1-14-6-8-15(9-7-14)18(27)25(5)26(20(2,3)4)19(28)16-10-12-17(13-11-16)21(22,23)24/h6-13H,1-5H3
InChIKeyAEFGXMJVMWSBPS-UHFFFAOYSA-N
XLogP4.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The IUPAC name of N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide (CID 19752729) is N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide.
What is the SMILES notation for N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The canonical SMILES for N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide is Cc1ccc(C(=O)N(C)N(C(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The InChIKey is AEFGXMJVMWSBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-14-6-8-15(9-7-14)18(27)25(5)26(20(2,3)4)19(28)16-10-12-17(13-11-16)21(22,23)24/h6-13H,1-5H3.
What are the key properties of N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide has a molecular weight of 392.42 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 19752729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).