3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide

C10H11F3N2O2 — CID 58736589

IUPAC3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1c(C(F)(F)F)ccc(N)c1O
InChIInChI=1S/C10H11F3N2O2/c1-15(2)9(17)7-5(10(11,12)13)3-4-6(14)8(7)16/h3-4,16H,14H2,1-2H3
InChIKeyMGYJQVNCHBKCIC-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.70
Rot. Bonds1

About 3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide

3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide (PubChem CID 58736589) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide
PubChem CID58736589
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1c(C(F)(F)F)ccc(N)c1O
InChIInChI=1S/C10H11F3N2O2/c1-15(2)9(17)7-5(10(11,12)13)3-4-6(14)8(7)16/h3-4,16H,14H2,1-2H3
InChIKeyMGYJQVNCHBKCIC-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.70
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-(trifluoromethyl)benzamide?
The IUPAC name of 3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide (CID 58736589) is 3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide is CN(C)C(=O)c1c(C(F)(F)F)ccc(N)c1O.
What is the InChIKey of 3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide?
The InChIKey is MGYJQVNCHBKCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-15(2)9(17)7-5(10(11,12)13)3-4-6(14)8(7)16/h3-4,16H,14H2,1-2H3.
What are the key properties of 3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide?
3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide has a molecular weight of 248.20 g/mol, XLogP of 1.70, 1 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-(trifluoromethyl)benzamide is sourced from PubChem (CID 58736589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).