(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide

C9H8F3N3O3 — CID 53274904

IUPAC(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESN/C(=N/O)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H8F3N3O3/c10-9(11,12)18-6-3-1-5(2-4-6)14-8(16)7(13)15-17/h1-4,17H,(H2,13,15)(H,14,16)
InChIKeyFLSAWDKOMOMDTN-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.27
Rot. Bonds2

About (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide

(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 53274904) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.18 g/mol. Its IUPAC name is (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID53274904
Molecular FormulaC9H8F3N3O3
Molecular Weight263.18 g/mol
Exact Mass263.05
IUPAC Name(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESN/C(=N/O)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H8F3N3O3/c10-9(11,12)18-6-3-1-5(2-4-6)14-8(16)7(13)15-17/h1-4,17H,(H2,13,15)(H,14,16)
InChIKeyFLSAWDKOMOMDTN-UHFFFAOYSA-N
XLogP1.27
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

[4-(trifluoromethoxy)phenyl]urea
CID 2779224
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
(E)-4-oxo-4-[4-(trifluoromethoxy)anilino]but-2-enoic acid
CID 676843
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
CID 111073649
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 23633023
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863

Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 53274904) is (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide is N/C(=N/O)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FLSAWDKOMOMDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c10-9(11,12)18-6-3-1-5(2-4-6)14-8(16)7(13)15-17/h1-4,17H,(H2,13,15)(H,14,16).
What are the key properties of (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide?
(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 263.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 53274904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).