N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide

C21H23F3N2O2 — CID 19752997

IUPACN'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide
SMILESCCN(C(=O)c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C21H23F3N2O2/c1-5-25(18(27)15-9-7-6-8-10-15)26(20(2,3)4)19(28)16-11-13-17(14-12-16)21(22,23)24/h6-14H,5H2,1-4H3
InChIKeyOCPCKMUXIRTZPC-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.02
Rot. Bonds3

About N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide

N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide (PubChem CID 19752997) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide
PubChem CID19752997
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide
SMILESCCN(C(=O)c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C21H23F3N2O2/c1-5-25(18(27)15-9-7-6-8-10-15)26(20(2,3)4)19(28)16-11-13-17(14-12-16)21(22,23)24/h6-14H,5H2,1-4H3
InChIKeyOCPCKMUXIRTZPC-UHFFFAOYSA-N
XLogP5.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-benzoyl-N'-tert-butyl-N-ethylbenzohydrazide
CID 19752906
N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 19752729
CID 161391832
CID 161391832
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
CID 175394574
CID 175394574
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275
CID 101352816
CID 101352816
N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87497566
N-tert-butyl-N'-ethyl-4-pent-4-enyl-N'-(4-propanoylbenzoyl)benzohydrazide
CID 19752730
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 24724050
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide (CID 19752997) is N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide is CCN(C(=O)c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C.
What is the InChIKey of N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide?
The InChIKey is OCPCKMUXIRTZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-5-25(18(27)15-9-7-6-8-10-15)26(20(2,3)4)19(28)16-11-13-17(14-12-16)21(22,23)24/h6-14H,5H2,1-4H3.
What are the key properties of N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide?
N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide has a molecular weight of 392.42 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-tert-butyl-N'-ethyl-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 19752997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).