3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide

C20H19F3N4O3 — CID 155223984

IUPAC3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide
SMILESCC1(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CCNC1=O
InChIInChI=1S/C20H19F3N4O3/c1-19(10-11-24-17(19)29)18(30)27-26-16(28)14-4-2-3-5-15(14)25-13-8-6-12(7-9-13)20(21,22)23/h2-9,25H,10-11H2,1H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyUKPQJCZLNMPAQT-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.74
Rot. Bonds4

About 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide

3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide (PubChem CID 155223984) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide
PubChem CID155223984
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide
SMILESCC1(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CCNC1=O
InChIInChI=1S/C20H19F3N4O3/c1-19(10-11-24-17(19)29)18(30)27-26-16(28)14-4-2-3-5-15(14)25-13-8-6-12(7-9-13)20(21,22)23/h2-9,25H,10-11H2,1H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyUKPQJCZLNMPAQT-UHFFFAOYSA-N
XLogP2.74
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide
CID 155712990
N'-(2-cyano-2-methylpropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 155224042
[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 155211805
ethyl 2,2-dimethyl-3-oxo-3-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]propanoate
CID 155211832
methyl-[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 166680960
ethane;1-phenylsulfanyl-3-[[2-[4-(trifluoromethyl)anilino]benzoyl]amino]urea
CID 155713022
2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide
CID 155211855
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 147657405
tert-butyl N-methyl-N-[4-oxo-4-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]butyl]carbamate
CID 155211826
ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 155713070
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide?
The IUPAC name of 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide (CID 155223984) is 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide.
What is the SMILES notation for 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide?
The canonical SMILES for 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide is CC1(C(=O)NNC(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CCNC1=O.
What is the InChIKey of 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide?
The InChIKey is UKPQJCZLNMPAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-19(10-11-24-17(19)29)18(30)27-26-16(28)14-4-2-3-5-15(14)25-13-8-6-12(7-9-13)20(21,22)23/h2-9,25H,10-11H2,1H3,(H,24,29)(H,26,28)(H,27,30).
What are the key properties of 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide?
3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide has a molecular weight of 420.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 155223984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).