N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide

C16H13F3N2O3 — CID 135683233

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1O
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)12-5-3-6-13(8-12)24-10-15(23)21-20-9-11-4-1-2-7-14(11)22/h1-9,22H,10H2,(H,21,23)/b20-9+
InChIKeyLFOYHMWANNHNPT-AWQFTUOYSA-N
MW338.29 g/mol
LogP2.94
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 135683233) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID135683233
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1O
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)12-5-3-6-13(8-12)24-10-15(23)21-20-9-11-4-1-2-7-14(11)22/h1-9,22H,10H2,(H,21,23)/b20-9+
InChIKeyLFOYHMWANNHNPT-AWQFTUOYSA-N
XLogP2.94
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(4-methylsulfanylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 4246520
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42991542
N-[(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604432
2-(3-methylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924430
2-(3-methylphenoxy)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6231780
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491245
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 917786
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661557
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135852675
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]urea
CID 137303958

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 135683233) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is LFOYHMWANNHNPT-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)12-5-3-6-13(8-12)24-10-15(23)21-20-9-11-4-1-2-7-14(11)22/h1-9,22H,10H2,(H,21,23)/b20-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 338.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 135683233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).