N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide

C16H13F3N2O2 — CID 135445578

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1O
InChIInChI=1S/C16H13F3N2O2/c1-10(13-4-2-3-5-14(13)22)20-21-15(23)11-6-8-12(9-7-11)16(17,18)19/h2-9,22H,1H3,(H,21,23)/b20-10+
InChIKeyIBBOBFPPRZFNPH-KEBDBYFISA-N
MW322.29 g/mol
LogP3.57
Rot. Bonds3

About N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide (PubChem CID 135445578) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
PubChem CID135445578
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1O
InChIInChI=1S/C16H13F3N2O2/c1-10(13-4-2-3-5-14(13)22)20-21-15(23)11-6-8-12(9-7-11)16(17,18)19/h2-9,22H,1H3,(H,21,23)/b20-10+
InChIKeyIBBOBFPPRZFNPH-KEBDBYFISA-N
XLogP3.57
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide (CID 135445578) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide is C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide?
The InChIKey is IBBOBFPPRZFNPH-KEBDBYFISA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-10(13-4-2-3-5-14(13)22)20-21-15(23)11-6-8-12(9-7-11)16(17,18)19/h2-9,22H,1H3,(H,21,23)/b20-10+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide has a molecular weight of 322.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 135445578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).