2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C9H7F3N2O2 — CID 135452552

IUPAC2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(N/N=C/c1ccccc1O)C(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)8(16)14-13-5-6-3-1-2-4-7(6)15/h1-5,15H,(H,14,16)/b13-5+
InChIKeyKYAULHVCLMZWIK-WLRTZDKTSA-N
MW232.16 g/mol
LogP1.40
Rot. Bonds2

About 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135452552) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135452552
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(N/N=C/c1ccccc1O)C(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)8(16)14-13-5-6-3-1-2-4-7(6)15/h1-5,15H,(H,14,16)/b13-5+
InChIKeyKYAULHVCLMZWIK-WLRTZDKTSA-N
XLogP1.40
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxybenzaldehyde semicarbazone
CID 135466838
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 135519973
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
2-{2-[1-(2-Hydroxyphenyl)propylidene]hydrazino}-2-oxoacetamide
CID 135521546
1,5-Bis(salicylidene)carbohydrazide
CID 96015
N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide
CID 243459
N,N'-Bis(salicylideneamino)oxamide
CID 135576411
1,3-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
CID 135408529
N'-(2,4-Dihydroxybenzylidene)acetohydrazide
CID 135615765
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135452552) is 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(N/N=C/c1ccccc1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is KYAULHVCLMZWIK-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c10-9(11,12)8(16)14-13-5-6-3-1-2-4-7(6)15/h1-5,15H,(H,14,16)/b13-5+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 232.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135452552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).