N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide

C15H11Cl2F3N2O — CID 10473868

IUPACN-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide
SMILESCOc1ccc(/N=C(/Nc2ccc(Cl)c(Cl)c2)C(F)(F)F)cc1
InChIInChI=1S/C15H11Cl2F3N2O/c1-23-11-5-2-9(3-6-11)21-14(15(18,19)20)22-10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,21,22)
InChIKeyCTWKAPHXDKHXJO-UHFFFAOYSA-N
MW363.17 g/mol
LogP5.71
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide

N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide (PubChem CID 10473868) has the molecular formula C15H11Cl2F3N2O and a molecular weight of 363.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide
PubChem CID10473868
Molecular FormulaC15H11Cl2F3N2O
Molecular Weight363.17 g/mol
Exact Mass362.02
IUPAC NameN-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide
SMILESCOc1ccc(/N=C(/Nc2ccc(Cl)c(Cl)c2)C(F)(F)F)cc1
InChIInChI=1S/C15H11Cl2F3N2O/c1-23-11-5-2-9(3-6-11)21-14(15(18,19)20)22-10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,21,22)
InChIKeyCTWKAPHXDKHXJO-UHFFFAOYSA-N
XLogP5.71
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.17
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide (CID 10473868) is N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide is COc1ccc(/N=C(/Nc2ccc(Cl)c(Cl)c2)C(F)(F)F)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide?
The InChIKey is CTWKAPHXDKHXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O/c1-23-11-5-2-9(3-6-11)21-14(15(18,19)20)22-10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide?
N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide has a molecular weight of 363.17 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 10473868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).