N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide

C17H15F3N2O2 — CID 7925712

IUPACN'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3N2O2/c1-2-11-6-8-12(9-7-11)15(23)21-22-16(24)13-4-3-5-14(10-13)17(18,19)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyZQAGOCFZFUXALP-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.34
Rot. Bonds3

About N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide

N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide (PubChem CID 7925712) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
PubChem CID7925712
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3N2O2/c1-2-11-6-8-12(9-7-11)15(23)21-22-16(24)13-4-3-5-14(10-13)17(18,19)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyZQAGOCFZFUXALP-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione;1-(4-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 91590027
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
4-ethyl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17099913
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
CID 27171508
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide (CID 7925712) is N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide is CCc1ccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide?
The InChIKey is ZQAGOCFZFUXALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-2-11-6-8-12(9-7-11)15(23)21-22-16(24)13-4-3-5-14(10-13)17(18,19)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide?
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide has a molecular weight of 336.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 7925712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).