2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide

C17H14F3IN2O4 — CID 4844211

IUPAC2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
SMILESO=C(COc1ccc(I)cc1)NNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3IN2O4/c18-17(19,20)11-2-1-3-14(8-11)27-10-16(25)23-22-15(24)9-26-13-6-4-12(21)5-7-13/h1-8H,9-10H2,(H,22,24)(H,23,25)
InChIKeyYPOXEWIALPSQMQ-UHFFFAOYSA-N
MW494.21 g/mol
LogP2.92
Rot. Bonds6

About 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide

2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide (PubChem CID 4844211) has the molecular formula C17H14F3IN2O4 and a molecular weight of 494.21 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
PubChem CID4844211
Molecular FormulaC17H14F3IN2O4
Molecular Weight494.21 g/mol
Exact Mass494.00
IUPAC Name2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
SMILESO=C(COc1ccc(I)cc1)NNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3IN2O4/c18-17(19,20)11-2-1-3-14(8-11)27-10-16(25)23-22-15(24)9-26-13-6-4-12(21)5-7-13/h1-8H,9-10H2,(H,22,24)(H,23,25)
InChIKeyYPOXEWIALPSQMQ-UHFFFAOYSA-N
XLogP2.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide 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

(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 26840117
4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 7943250
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880
2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide
CID 18228275
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
1-bromo-3-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 87404421

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The IUPAC name of 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide (CID 4844211) is 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The canonical SMILES for 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide is O=C(COc1ccc(I)cc1)NNC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The InChIKey is YPOXEWIALPSQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3IN2O4/c18-17(19,20)11-2-1-3-14(8-11)27-10-16(25)23-22-15(24)9-26-13-6-4-12(21)5-7-13/h1-8H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide has a molecular weight of 494.21 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide is sourced from PubChem (CID 4844211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).