3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide

C15H9Cl2F3N2O — CID 4588973

IUPAC3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2F3N2O/c16-12-6-5-9(7-13(12)17)14(23)22-21-8-10-3-1-2-4-11(10)15(18,19)20/h1-8H,(H,22,23)
InChIKeyQEMCJTCJKKWXSS-UHFFFAOYSA-N
MW361.15 g/mol
LogP4.78
Rot. Bonds3

About 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide

3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide (PubChem CID 4588973) has the molecular formula C15H9Cl2F3N2O and a molecular weight of 361.15 g/mol. Its IUPAC name is 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
PubChem CID4588973
Molecular FormulaC15H9Cl2F3N2O
Molecular Weight361.15 g/mol
Exact Mass360.00
IUPAC Name3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2F3N2O/c16-12-6-5-9(7-13(12)17)14(23)22-21-8-10-3-1-2-4-11(10)15(18,19)20/h1-8H,(H,22,23)
InChIKeyQEMCJTCJKKWXSS-UHFFFAOYSA-N
XLogP4.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.15
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 2332306
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3470850
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 1001986
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 1003134
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
CID 6139999
N-(anthracen-9-ylmethylideneamino)-3,4-dichlorobenzamide
CID 4524228
2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 71966857
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)benzamide
CID 137103944
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
2-hydroxy-2,2-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 3297687

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide (CID 4588973) is 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide?
The InChIKey is QEMCJTCJKKWXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O/c16-12-6-5-9(7-13(12)17)14(23)22-21-8-10-3-1-2-4-11(10)15(18,19)20/h1-8H,(H,22,23).
What are the key properties of 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide?
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide has a molecular weight of 361.15 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 4588973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).