3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide

C16H15F3N2O2 — CID 58736652

IUPAC3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)ccc(N)c1O
InChIInChI=1S/C16H15F3N2O2/c1-21(2)15(23)13-11(7-8-12(20)14(13)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,22H,20H2,1-2H3
InChIKeyNYFXLEJFKOUTTP-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.36
Rot. Bonds2

About 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide

3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 58736652) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID58736652
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)ccc(N)c1O
InChIInChI=1S/C16H15F3N2O2/c1-21(2)15(23)13-11(7-8-12(20)14(13)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,22H,20H2,1-2H3
InChIKeyNYFXLEJFKOUTTP-UHFFFAOYSA-N
XLogP3.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide (CID 58736652) is 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide is CN(C)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)ccc(N)c1O.
What is the InChIKey of 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NYFXLEJFKOUTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-21(2)15(23)13-11(7-8-12(20)14(13)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,22H,20H2,1-2H3.
What are the key properties of 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide?
3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 324.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58736652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).