2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

C16H14F3N3O5 — CID 29409274

IUPAC2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14F3N3O5/c1-26-13-4-2-3-5-14(13)27-9-15(23)21-20-11-7-6-10(16(17,18)19)8-12(11)22(24)25/h2-8,20H,9H2,1H3,(H,21,23)
InChIKeySXHCHBSJUIVECJ-UHFFFAOYSA-N
MW385.30 g/mol
LogP3.14
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 29409274) has the molecular formula C16H14F3N3O5 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID29409274
Molecular FormulaC16H14F3N3O5
Molecular Weight385.30 g/mol
Exact Mass385.09
IUPAC Name2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14F3N3O5/c1-26-13-4-2-3-5-14(13)27-9-15(23)21-20-11-7-6-10(16(17,18)19)8-12(11)22(24)25/h2-8,20H,9H2,1H3,(H,21,23)
InChIKeySXHCHBSJUIVECJ-UHFFFAOYSA-N
XLogP3.14
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]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

3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29408778
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
2-(2-methoxyphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 30731868
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409246
N-[4-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 29409622
N-(4-fluorophenyl)-2-[2-methoxy-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 126075903
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate
CID 2914645
4-(2,5-dimethylthiophen-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-oxobutanehydrazide
CID 29409912
2-(2-chloro-6-fluorophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409225
N-(4-fluorophenyl)-2-[2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 126114427

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide (CID 29409274) is 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide is COc1ccccc1OCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is SXHCHBSJUIVECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O5/c1-26-13-4-2-3-5-14(13)27-9-15(23)21-20-11-7-6-10(16(17,18)19)8-12(11)22(24)25/h2-8,20H,9H2,1H3,(H,21,23).
What are the key properties of 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide?
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 385.30 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 29409274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).