N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide

C17H15F3N2O3 — CID 136644816

IUPACN-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(O)ccc1C=NNC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O3/c1-25-15-9-14(23)6-5-12(15)10-21-22-16(24)8-11-3-2-4-13(7-11)17(18,19)20/h2-7,9-10,23H,8H2,1H3,(H,22,24)
InChIKeyUOBCKWBPJKCDDG-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.11
Rot. Bonds5

About N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 136644816) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID136644816
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(O)ccc1C=NNC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O3/c1-25-15-9-14(23)6-5-12(15)10-21-22-16(24)8-11-3-2-4-13(7-11)17(18,19)20/h2-7,9-10,23H,8H2,1H3,(H,22,24)
InChIKeyUOBCKWBPJKCDDG-UHFFFAOYSA-N
XLogP3.11
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide
CID 158711619
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3788045
2-(2-fluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 136653358
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3499403
N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 50865918
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 21229354
3-cyano-4-hydroxy-N-[(E)-[2-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methylideneamino]benzamide
CID 11081564
N-[(E)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126002964
N-[(E)-(2-fluoro-4-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135513103
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 6269141
4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate
CID 7256534

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 136644816) is N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is COc1cc(O)ccc1C=NNC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UOBCKWBPJKCDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-25-15-9-14(23)6-5-12(15)10-21-22-16(24)8-11-3-2-4-13(7-11)17(18,19)20/h2-7,9-10,23H,8H2,1H3,(H,22,24).
What are the key properties of N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 352.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136644816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).