(Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide

C12H11F3N4O2 — CID 163566114

IUPAC(Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide
SMILES[H]/N=C(/C(=O)/C=C\Nc1cccc(C(F)(F)F)c1)C(=O)NN
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)7-2-1-3-8(6-7)18-5-4-9(20)10(16)11(21)19-17/h1-6,16,18H,17H2,(H,19,21)/b5-4-,16-10-
InChIKeyFVIOUDBDJPKVJV-LRHKBYLLSA-N
MW300.24 g/mol
LogP1.21
Rot. Bonds5

About (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide

(Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide (PubChem CID 163566114) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide.

Molecular Properties

Compound Name(Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide
PubChem CID163566114
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name(Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide
SMILES[H]/N=C(/C(=O)/C=C\Nc1cccc(C(F)(F)F)c1)C(=O)NN
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)7-2-1-3-8(6-7)18-5-4-9(20)10(16)11(21)19-17/h1-6,16,18H,17H2,(H,19,21)/b5-4-,16-10-
InChIKeyFVIOUDBDJPKVJV-LRHKBYLLSA-N
XLogP1.21
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-4-[3-(trifluoromethyl)anilino]but-3-en-2-one
CID 2842949
(E)-1-(4-methylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 2267875
(E)-1-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 46858523
N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide
CID 142372061
[(E)-2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoyl]carbamic acid
CID 90197114
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
ethyl N-[2-(ethoxycarbonylcarbamoyl)-3-[3-(trifluoromethyl)anilino]prop-2-enoyl]carbamate
CID 45034304
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
(E)-2,3-dichloro-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
CID 5386948
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751

Frequently Asked Questions

What is the IUPAC name of (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide?
The IUPAC name of (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide (CID 163566114) is (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide.
What is the SMILES notation for (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide?
The canonical SMILES for (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide is [H]/N=C(/C(=O)/C=C\Nc1cccc(C(F)(F)F)c1)C(=O)NN.
What is the InChIKey of (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide?
The InChIKey is FVIOUDBDJPKVJV-LRHKBYLLSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)7-2-1-3-8(6-7)18-5-4-9(20)10(16)11(21)19-17/h1-6,16,18H,17H2,(H,19,21)/b5-4-,16-10-.
What are the key properties of (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide?
(Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide has a molecular weight of 300.24 g/mol, XLogP of 1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide is sourced from PubChem (CID 163566114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).