N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide

C14H19ClF3N3 — CID 143348045

IUPACN-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide
SMILESCC/N=C(/NNc1c(C)cc(C(F)(F)F)cc1Cl)C(C)C
InChIInChI=1S/C14H19ClF3N3/c1-5-19-13(8(2)3)21-20-12-9(4)6-10(7-11(12)15)14(16,17)18/h6-8,20H,5H2,1-4H3,(H,19,21)
InChIKeyJSWBAHVWMXZKBN-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.66
Rot. Bonds4

About N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide

N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide (PubChem CID 143348045) has the molecular formula C14H19ClF3N3 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide.

Molecular Properties

Compound NameN-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide
PubChem CID143348045
Molecular FormulaC14H19ClF3N3
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC NameN-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide
SMILESCC/N=C(/NNc1c(C)cc(C(F)(F)F)cc1Cl)C(C)C
InChIInChI=1S/C14H19ClF3N3/c1-5-19-13(8(2)3)21-20-12-9(4)6-10(7-11(12)15)14(16,17)18/h6-8,20H,5H2,1-4H3,(H,19,21)
InChIKeyJSWBAHVWMXZKBN-UHFFFAOYSA-N
XLogP4.66
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538
methyl 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]butanoate
CID 169209861
N'-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-ethyl-2,2-dimethylpropanimidamide
CID 159253180
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 63667290
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
1-amino-3-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 116515184
2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)anilino]-1-methyl-N'-(2-phenylethyl)cyclohexane-1-carboximidamide
CID 102120811
tert-butyl N-[2,6-dimethyl-4-(trifluoromethyl)anilino]carbamate
CID 172557804
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 62379619
1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane
CID 142574142

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide?
The IUPAC name of N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide (CID 143348045) is N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide.
What is the SMILES notation for N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide?
The canonical SMILES for N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide is CC/N=C(/NNc1c(C)cc(C(F)(F)F)cc1Cl)C(C)C.
What is the InChIKey of N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide?
The InChIKey is JSWBAHVWMXZKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3/c1-5-19-13(8(2)3)21-20-12-9(4)6-10(7-11(12)15)14(16,17)18/h6-8,20H,5H2,1-4H3,(H,19,21).
What are the key properties of N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide?
N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide has a molecular weight of 321.77 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-methyl-4-(trifluoromethyl)anilino]-N'-ethyl-2-methylpropanimidamide is sourced from PubChem (CID 143348045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).