2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide

C12H14F3N3O3 — CID 75478694

IUPAC2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESN/C(CCO)=N/OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)8-2-1-3-9(6-8)17-11(20)7-21-18-10(16)4-5-19/h1-3,6,19H,4-5,7H2,(H2,16,18)(H,17,20)
InChIKeyYBSGCTIKRPOSRM-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.32
Rot. Bonds6

About 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 75478694) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID75478694
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESN/C(CCO)=N/OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)8-2-1-3-9(6-8)17-11(20)7-21-18-10(16)4-5-19/h1-3,6,19H,4-5,7H2,(H2,16,18)(H,17,20)
InChIKeyYBSGCTIKRPOSRM-UHFFFAOYSA-N
XLogP1.32
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.32
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192
1-(2-amino-2-hydroxyiminoethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 61316502
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2642304
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913496
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide (CID 75478694) is 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide is N/C(CCO)=N/OCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YBSGCTIKRPOSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)8-2-1-3-9(6-8)17-11(20)7-21-18-10(16)4-5-19/h1-3,6,19H,4-5,7H2,(H2,16,18)(H,17,20).
What are the key properties of 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 305.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 75478694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).