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

C17H15F3N2O3 — CID 8696577

IUPACN'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O3/c1-11-4-2-3-5-14(11)25-10-15(23)21-22-16(24)12-6-8-13(9-7-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyPAJGZQOXWMGUJZ-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.85
Rot. Bonds4

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

N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide (PubChem CID 8696577) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
PubChem CID8696577
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O3/c1-11-4-2-3-5-14(11)25-10-15(23)21-22-16(24)12-6-8-13(9-7-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyPAJGZQOXWMGUJZ-UHFFFAOYSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732852
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 90534701
N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926318
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9470070
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 17437529
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide (CID 8696577) is N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide?
The InChIKey is PAJGZQOXWMGUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-11-4-2-3-5-14(11)25-10-15(23)21-22-16(24)12-6-8-13(9-7-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide?
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide has a molecular weight of 352.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 8696577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).