4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide

C19H21F3N2O2 — CID 119740716

IUPAC4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(N)cc2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-12-8-14(9-13(2)17(12)26-11-19(20,21)22)10-24(3)18(25)15-4-6-16(23)7-5-15/h4-9H,10-11,23H2,1-3H3
InChIKeyWLQZRIBUNKCPJU-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.10
Rot. Bonds5

About 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide

4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide (PubChem CID 119740716) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide
PubChem CID119740716
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(N)cc2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-12-8-14(9-13(2)17(12)26-11-19(20,21)22)10-24(3)18(25)15-4-6-16(23)7-5-15/h4-9H,10-11,23H2,1-3H3
InChIKeyWLQZRIBUNKCPJU-UHFFFAOYSA-N
XLogP4.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide?
The IUPAC name of 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide (CID 119740716) is 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide is Cc1cc(CN(C)C(=O)c2ccc(N)cc2)cc(C)c1OCC(F)(F)F.
What is the InChIKey of 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide?
The InChIKey is WLQZRIBUNKCPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-12-8-14(9-13(2)17(12)26-11-19(20,21)22)10-24(3)18(25)15-4-6-16(23)7-5-15/h4-9H,10-11,23H2,1-3H3.
What are the key properties of 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide?
4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide has a molecular weight of 366.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 119740716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).