N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide

C18H17F3N2O4 — CID 2090675

IUPACN'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O4/c1-2-12-3-7-14(8-4-12)26-11-16(24)22-23-17(25)13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJICLZBKTJCZRHY-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.99
Rot. Bonds6

About N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide

N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide (PubChem CID 2090675) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
PubChem CID2090675
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC NameN'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O4/c1-2-12-3-7-14(8-4-12)26-11-16(24)22-23-17(25)13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJICLZBKTJCZRHY-UHFFFAOYSA-N
XLogP2.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 43002106
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
CID 7364756

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide (CID 2090675) is N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide?
The InChIKey is JICLZBKTJCZRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-2-12-3-7-14(8-4-12)26-11-16(24)22-23-17(25)13-5-9-15(10-6-13)27-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide?
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide has a molecular weight of 382.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide is sourced from PubChem (CID 2090675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).