N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide

C15H10ClF3N2O2 — CID 137103944

IUPACN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1cccc(Cl)c1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N2O2/c16-12-7-3-4-9(13(12)22)8-20-21-14(23)10-5-1-2-6-11(10)15(17,18)19/h1-8,22H,(H,21,23)
InChIKeyCLOMNZAOZSWYTQ-UHFFFAOYSA-N
MW342.70 g/mol
LogP3.83
Rot. Bonds3

About N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide

N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide (PubChem CID 137103944) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
PubChem CID137103944
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC NameN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1cccc(Cl)c1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N2O2/c16-12-7-3-4-9(13(12)22)8-20-21-14(23)10-5-1-2-6-11(10)15(17,18)19/h1-8,22H,(H,21,23)
InChIKeyCLOMNZAOZSWYTQ-UHFFFAOYSA-N
XLogP3.83
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 53.83
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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Related Compounds

N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
CID 137093574
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methylbenzamide
CID 137072981
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135959957
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide (CID 137103944) is N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide is O=C(NN=Cc1cccc(Cl)c1O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
The InChIKey is CLOMNZAOZSWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c16-12-7-3-4-9(13(12)22)8-20-21-14(23)10-5-1-2-6-11(10)15(17,18)19/h1-8,22H,(H,21,23).
What are the key properties of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide?
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide has a molecular weight of 342.70 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 137103944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).