(2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide

C10H6F3N3O2 — CID 51033251

IUPAC(2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#C/C(=N\O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16-18/h1-4,18H,(H,15,17)/b16-8+
InChIKeyQCANERAOMDIKFF-LZYBPNLTSA-N
MW257.17 g/mol
LogP2.00
Rot. Bonds2

About (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide

(2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 51033251) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID51033251
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name(2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#C/C(=N\O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16-18/h1-4,18H,(H,15,17)/b16-8+
InChIKeyQCANERAOMDIKFF-LZYBPNLTSA-N
XLogP2.00
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 54684141
(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide;ethane
CID 143933354
(Z)-2-cyano-3-hydroxy-N,3-bis[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 54689640
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
(Z)-2-cyano-3-hydroxy-3-(oxolan-3-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 54710486
2-cyano-3-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2888047
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
(Z)-N-(4-chlorophenyl)-2-cyano-3-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 54727447
(E)-6-cyano-5-hydroxy-7-oxo-7-[4-(trifluoromethyl)anilino]hept-5-enoic acid
CID 69449324
(2R)-2-cyano-3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide
CID 155903757
(Z)-2-cyano-3-(3,5-dichlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 54735328
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide (CID 51033251) is (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide is N#C/C(=N\O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QCANERAOMDIKFF-LZYBPNLTSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16-18/h1-4,18H,(H,15,17)/b16-8+.
What are the key properties of (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide?
(2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 257.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-hydroxyimino-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51033251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).