N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide

C20H21F3N2O3 — CID 70427497

IUPACN-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESCc1cccc(C(=O)N(NC(=O)c2ccc(OC(F)(F)F)cc2)C(C)(C)C)c1
InChIInChI=1S/C20H21F3N2O3/c1-13-6-5-7-15(12-13)18(27)25(19(2,3)4)24-17(26)14-8-10-16(11-9-14)28-20(21,22)23/h5-12H,1-4H3,(H,24,26)
InChIKeyYBALHSUSEUGWTL-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.48
Rot. Bonds3

About N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide

N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (PubChem CID 70427497) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
PubChem CID70427497
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESCc1cccc(C(=O)N(NC(=O)c2ccc(OC(F)(F)F)cc2)C(C)(C)C)c1
InChIInChI=1S/C20H21F3N2O3/c1-13-6-5-7-15(12-13)18(27)25(19(2,3)4)24-17(26)14-8-10-16(11-9-14)28-20(21,22)23/h5-12H,1-4H3,(H,24,26)
InChIKeyYBALHSUSEUGWTL-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 70427476
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
[4-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]phenyl] acetate
CID 19367923
N'-tert-butyl-N'-(3-methylbenzoyl)-2H-triazole-4-carbohydrazide
CID 15452007
(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
CID 88511224
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
N-tert-butyl-3-methyl-N'-pent-3-ynoylbenzohydrazide
CID 67921840
N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
CID 23164438
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232
2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 115736451

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The IUPAC name of N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (CID 70427497) is N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The canonical SMILES for N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is Cc1cccc(C(=O)N(NC(=O)c2ccc(OC(F)(F)F)cc2)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The InChIKey is YBALHSUSEUGWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-13-6-5-7-15(12-13)18(27)25(19(2,3)4)24-17(26)14-8-10-16(11-9-14)28-20(21,22)23/h5-12H,1-4H3,(H,24,26).
What are the key properties of N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide has a molecular weight of 394.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 70427497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).