ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide

C22H26F3N3O3 — CID 155712990

IUPACethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide
SMILESCC.CC1(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CCCO1
InChIInChI=1S/C20H20F3N3O3.C2H6/c1-19(11-4-12-29-19)18(28)26-25-17(27)15-5-2-3-6-16(15)24-14-9-7-13(8-10-14)20(21,22)23;1-2/h2-3,5-10,24H,4,11-12H2,1H3,(H,25,27)(H,26,28);1-2H3
InChIKeySGUIFHFHABZYQC-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.81
Rot. Bonds4

About ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide

ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide (PubChem CID 155712990) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Nameethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide
PubChem CID155712990
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC Nameethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide
SMILESCC.CC1(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CCCO1
InChIInChI=1S/C20H20F3N3O3.C2H6/c1-19(11-4-12-29-19)18(28)26-25-17(27)15-5-2-3-6-16(15)24-14-9-7-13(8-10-14)20(21,22)23;1-2/h2-3,5-10,24H,4,11-12H2,1H3,(H,25,27)(H,26,28);1-2H3
InChIKeySGUIFHFHABZYQC-UHFFFAOYSA-N
XLogP4.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.81
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

3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide
CID 155223984
N'-(2-cyano-2-methylpropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 155224042
ethane;1-phenylsulfanyl-3-[[2-[4-(trifluoromethyl)anilino]benzoyl]amino]urea
CID 155713022
[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 155211805
methyl-[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 166680960
2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide
CID 155211855
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
ethyl 2,2-dimethyl-3-oxo-3-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]propanoate
CID 155211832
ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 155713070
2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
CID 159294791
N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 147657405
2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 11617162

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide?
The IUPAC name of ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide (CID 155712990) is ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide.
What is the SMILES notation for ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide?
The canonical SMILES for ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide is CC.CC1(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CCCO1.
What is the InChIKey of ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide?
The InChIKey is SGUIFHFHABZYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3.C2H6/c1-19(11-4-12-29-19)18(28)26-25-17(27)15-5-2-3-6-16(15)24-14-9-7-13(8-10-14)20(21,22)23;1-2/h2-3,5-10,24H,4,11-12H2,1H3,(H,25,27)(H,26,28);1-2H3.
What are the key properties of ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide?
ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide has a molecular weight of 437.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 155712990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).