4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

C18H17F3N2O4 — CID 55786703

IUPAC4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O4/c1-2-26-14-7-3-12(4-8-14)17(25)23-22-16(24)11-27-15-9-5-13(6-10-15)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyNFHKMDAXHUUMIC-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.94
Rot. Bonds6

About 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide

4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (PubChem CID 55786703) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
PubChem CID55786703
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O4/c1-2-26-14-7-3-12(4-8-14)17(25)23-22-16(24)11-27-15-9-5-13(6-10-15)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyNFHKMDAXHUUMIC-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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

4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide
CID 86990376
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N'-[2-(2-ethoxyphenoxy)acetyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzohydrazide
CID 24532076
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The IUPAC name of 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide (CID 55786703) is 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
The InChIKey is NFHKMDAXHUUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-2-26-14-7-3-12(4-8-14)17(25)23-22-16(24)11-27-15-9-5-13(6-10-15)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide?
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide has a molecular weight of 382.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide is sourced from PubChem (CID 55786703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).