2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide

C19H20F3N3O3 — CID 56504019

IUPAC2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)COc2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C19H20F3N3O3/c1-12-3-8-16(13(2)9-12)23-10-17(26)24-25-18(27)11-28-15-6-4-14(5-7-15)19(20,21)22/h3-9,23H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHTDXNPDOYYYCHM-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.96
Rot. Bonds6

About 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide

2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide (PubChem CID 56504019) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
PubChem CID56504019
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)COc2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C19H20F3N3O3/c1-12-3-8-16(13(2)9-12)23-10-17(26)24-25-18(27)11-28-15-6-4-14(5-7-15)19(20,21)22/h3-9,23H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHTDXNPDOYYYCHM-UHFFFAOYSA-N
XLogP2.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7889939
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093188
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
CID 17093328
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
5-[(4-bromophenoxy)methyl]-N'-[2-(2,4-dimethylanilino)acetyl]furan-2-carbohydrazide
CID 56504146
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The IUPAC name of 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide (CID 56504019) is 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)COc2ccc(C(F)(F)F)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The InChIKey is HTDXNPDOYYYCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-12-3-8-16(13(2)9-12)23-10-17(26)24-25-18(27)11-28-15-6-4-14(5-7-15)19(20,21)22/h3-9,23H,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide has a molecular weight of 395.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]acetohydrazide is sourced from PubChem (CID 56504019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).