N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide

C15H19Cl2F3N2 — CID 159253180

IUPACN'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide
SMILESCCN/C(=N\Cc1c(Cl)cc(C(F)(F)F)cc1Cl)C(C)(C)C
InChIInChI=1S/C15H19Cl2F3N2/c1-5-21-13(14(2,3)4)22-8-10-11(16)6-9(7-12(10)17)15(18,19)20/h6-7H,5,8H2,1-4H3,(H,21,22)
InChIKeyWGEFDQYTRCSCLC-UHFFFAOYSA-N
MW355.23 g/mol
LogP5.57
Rot. Bonds3

About N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide

N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide (PubChem CID 159253180) has the molecular formula C15H19Cl2F3N2 and a molecular weight of 355.23 g/mol. Its IUPAC name is N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide
PubChem CID159253180
Molecular FormulaC15H19Cl2F3N2
Molecular Weight355.23 g/mol
Exact Mass354.09
IUPAC NameN'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide
SMILESCCN/C(=N\Cc1c(Cl)cc(C(F)(F)F)cc1Cl)C(C)(C)C
InChIInChI=1S/C15H19Cl2F3N2/c1-5-21-13(14(2,3)4)22-8-10-11(16)6-9(7-12(10)17)15(18,19)20/h6-7H,5,8H2,1-4H3,(H,21,22)
InChIKeyWGEFDQYTRCSCLC-UHFFFAOYSA-N
XLogP5.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.23
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-[(Z)-4-amino-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-en-2-yl]-3-ethylurea
CID 153099836
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111667107
N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide
CID 143348045
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 136926869
N-[2-[[N-ethyl-N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111420471
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
2-chloro-N-[2-[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111267791
1-[2-(tert-butylamino)ethyl]-3-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111769435
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111667045

Frequently Asked Questions

What is the IUPAC name of N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide (CID 159253180) is N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide is CCN/C(=N\Cc1c(Cl)cc(C(F)(F)F)cc1Cl)C(C)(C)C.
What is the InChIKey of N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide?
The InChIKey is WGEFDQYTRCSCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2F3N2/c1-5-21-13(14(2,3)4)22-8-10-11(16)6-9(7-12(10)17)15(18,19)20/h6-7H,5,8H2,1-4H3,(H,21,22).
What are the key properties of N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide?
N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide has a molecular weight of 355.23 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide is sourced from PubChem (CID 159253180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).