4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane

C21H29F3N2O — CID 143188892

IUPAC4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane
SMILESCC.CC.Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2)ccc1CN
InChIInChI=1S/C17H17F3N2O.2C2H6/c1-11-9-12(3-4-13(11)10-21)16(23)22(2)15-7-5-14(6-8-15)17(18,19)20;2*1-2/h3-9H,10,21H2,1-2H3;2*1-2H3
InChIKeyOCLXBWXBQXSHPG-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.80
Rot. Bonds3

About 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane

4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane (PubChem CID 143188892) has the molecular formula C21H29F3N2O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane
PubChem CID143188892
Molecular FormulaC21H29F3N2O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane
SMILESCC.CC.Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2)ccc1CN
InChIInChI=1S/C17H17F3N2O.2C2H6/c1-11-9-12(3-4-13(11)10-21)16(23)22(2)15-7-5-14(6-8-15)17(18,19)20;2*1-2/h3-9H,10,21H2,1-2H3;2*1-2H3
InChIKeyOCLXBWXBQXSHPG-UHFFFAOYSA-N
XLogP5.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane (CID 143188892) is 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane is CC.CC.Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane?
The InChIKey is OCLXBWXBQXSHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O.2C2H6/c1-11-9-12(3-4-13(11)10-21)16(23)22(2)15-7-5-14(6-8-15)17(18,19)20;2*1-2/h3-9H,10,21H2,1-2H3;2*1-2H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane?
4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane has a molecular weight of 382.47 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane is sourced from PubChem (CID 143188892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).