N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide

C16H13F3N2O3 — CID 137072479

IUPACN-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C16H13F3N2O3/c1-24-13-7-4-11(14(22)8-13)9-20-21-15(23)10-2-5-12(6-3-10)16(17,18)19/h2-9,22H,1H3,(H,21,23)
InChIKeyOVYMVAQIVITQDP-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.18
Rot. Bonds4

About N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide

N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide (PubChem CID 137072479) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
PubChem CID137072479
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C16H13F3N2O3/c1-24-13-7-4-11(14(22)8-13)9-20-21-15(23)10-2-5-12(6-3-10)16(17,18)19/h2-9,22H,1H3,(H,21,23)
InChIKeyOVYMVAQIVITQDP-UHFFFAOYSA-N
XLogP3.18
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.18
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

4-tert-butyl-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135613078
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 137150543
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
CID 139204410
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
4-amino-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide;hydrate
CID 139084206
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-4-iodobenzamide
CID 137075500

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide (CID 137072479) is N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide is COc1ccc(C=NNC(=O)c2ccc(C(F)(F)F)cc2)c(O)c1.
What is the InChIKey of N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The InChIKey is OVYMVAQIVITQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-24-13-7-4-11(14(22)8-13)9-20-21-15(23)10-2-5-12(6-3-10)16(17,18)19/h2-9,22H,1H3,(H,21,23).
What are the key properties of N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide has a molecular weight of 338.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 137072479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).