(2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate

C15H8Cl2F3NO2 — CID 21283750

IUPAC(2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate
SMILES[H]/N=C(/OC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2F3NO2/c16-8-5-6-10(12(17)7-8)13(21)23-14(22)9-3-1-2-4-11(9)15(18,19)20/h1-7,21H/b21-13+
InChIKeyFTIWYVOBNWTHBG-FYJGNVAPSA-N
MW362.13 g/mol
LogP5.19
Rot. Bonds2

About (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate

(2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate (PubChem CID 21283750) has the molecular formula C15H8Cl2F3NO2 and a molecular weight of 362.13 g/mol. Its IUPAC name is (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name(2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate
PubChem CID21283750
Molecular FormulaC15H8Cl2F3NO2
Molecular Weight362.13 g/mol
Exact Mass360.99
IUPAC Name(2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate
SMILES[H]/N=C(/OC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2F3NO2/c16-8-5-6-10(12(17)7-8)13(21)23-14(22)9-3-1-2-4-11(9)15(18,19)20/h1-7,21H/b21-13+
InChIKeyFTIWYVOBNWTHBG-FYJGNVAPSA-N
XLogP5.19
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.13
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(4-chlorophenyl) 2-(trifluoromethyl)benzoate
CID 532424
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63411438
(2,4-dichloronaphthalen-1-yl) 2-(trifluoromethyl)benzoate
CID 91726264
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
methyl 2-(trifluoromethyl)benzoate
CID 2775578
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
[2-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726256
[3-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726272
1-cyanoethenyl 2-(trifluoromethyl)benzoate
CID 154449158
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859795

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate?
The IUPAC name of (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate (CID 21283750) is (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate.
What is the SMILES notation for (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate?
The canonical SMILES for (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate is [H]/N=C(/OC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate?
The InChIKey is FTIWYVOBNWTHBG-FYJGNVAPSA-N. The full InChI is InChI=1S/C15H8Cl2F3NO2/c16-8-5-6-10(12(17)7-8)13(21)23-14(22)9-3-1-2-4-11(9)15(18,19)20/h1-7,21H/b21-13+.
What are the key properties of (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate?
(2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate has a molecular weight of 362.13 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 21283750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).