N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide

C19H19F3N2O4 — CID 55489256

IUPACN'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3N2O4/c1-13-3-2-4-16(9-13)28-11-17(25)23-24-18(26)15-7-5-14(6-8-15)10-27-12-19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyGTGRYLWEJQSAMG-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.91
Rot. Bonds7

About N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide

N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide (PubChem CID 55489256) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
PubChem CID55489256
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(COCC(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3N2O4/c1-13-3-2-4-16(9-13)28-11-17(25)23-24-18(26)15-7-5-14(6-8-15)10-27-12-19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyGTGRYLWEJQSAMG-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.91
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

3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 55377578
2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86928887
4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 55516245
3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 3400798
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 7943250
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4795371

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide (CID 55489256) is N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccc(COCC(F)(F)F)cc2)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The InChIKey is GTGRYLWEJQSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-13-3-2-4-16(9-13)28-11-17(25)23-24-18(26)15-7-5-14(6-8-15)10-27-12-19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide has a molecular weight of 396.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide is sourced from PubChem (CID 55489256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).