3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide

C15H9Cl2F3N2O2 — CID 137093572

IUPAC3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(Cl)cc(C(F)(F)F)c1O)c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2F3N2O2/c16-10-3-1-2-8(4-10)14(24)22-21-7-9-5-11(17)6-12(13(9)23)15(18,19)20/h1-7,23H,(H,22,24)
InChIKeyLPRCMUMUERXKSD-UHFFFAOYSA-N
MW377.15 g/mol
LogP4.48
Rot. Bonds3

About 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide

3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide (PubChem CID 137093572) has the molecular formula C15H9Cl2F3N2O2 and a molecular weight of 377.15 g/mol. Its IUPAC name is 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide
PubChem CID137093572
Molecular FormulaC15H9Cl2F3N2O2
Molecular Weight377.15 g/mol
Exact Mass376.00
IUPAC Name3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(Cl)cc(C(F)(F)F)c1O)c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2F3N2O2/c16-10-3-1-2-8(4-10)14(24)22-21-7-9-5-11(17)6-12(13(9)23)15(18,19)20/h1-7,23H,(H,22,24)
InChIKeyLPRCMUMUERXKSD-UHFFFAOYSA-N
XLogP4.48
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 54.48
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'}

Analyze 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 137167158
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide (CID 137093572) is 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide is O=C(NN=Cc1cc(Cl)cc(C(F)(F)F)c1O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The InChIKey is LPRCMUMUERXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O2/c16-10-3-1-2-8(4-10)14(24)22-21-7-9-5-11(17)6-12(13(9)23)15(18,19)20/h1-7,23H,(H,22,24).
What are the key properties of 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide?
3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide has a molecular weight of 377.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 137093572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).