4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide

C14H18F3N3O — CID 163372679

IUPAC4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)NC)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-5-20(4)8-19-12-6-9(2)10(13(21)18-3)7-11(12)14(15,16)17/h6-8H,5H2,1-4H3,(H,18,21)/b19-8+
InChIKeyZCBZOZBRQWMQLI-UFWORHAWSA-N
MW301.31 g/mol
LogP2.98
Rot. Bonds4

About 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide

4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide (PubChem CID 163372679) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide
PubChem CID163372679
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)NC)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-5-20(4)8-19-12-6-9(2)10(13(21)18-3)7-11(12)14(15,16)17/h6-8H,5H2,1-4H3,(H,18,21)/b19-8+
InChIKeyZCBZOZBRQWMQLI-UFWORHAWSA-N
XLogP2.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.98
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 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide (CID 163372679) is 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide is CCN(C)/C=N/c1cc(C)c(C(=O)NC)cc1C(F)(F)F.
What is the InChIKey of 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide?
The InChIKey is ZCBZOZBRQWMQLI-UFWORHAWSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-5-20(4)8-19-12-6-9(2)10(13(21)18-3)7-11(12)14(15,16)17/h6-8H,5H2,1-4H3,(H,18,21)/b19-8+.
What are the key properties of 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide?
4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide has a molecular weight of 301.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 163372679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).