4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide

C11H13F3N2O2 — CID 66276494

IUPAC4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCNC(=O)c1ccc(N)c(OC(C)C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-6(11(12,13)14)18-9-5-7(10(17)16-2)3-4-8(9)15/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyAUTRIQMRSJXVOR-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.96
Rot. Bonds3

About 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide

4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 66276494) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID66276494
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCNC(=O)c1ccc(N)c(OC(C)C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-6(11(12,13)14)18-9-5-7(10(17)16-2)3-4-8(9)15/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyAUTRIQMRSJXVOR-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276054
4-amino-3-butan-2-yloxy-N-methylbenzamide
CID 63357542
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
4-bromo-2-(1,1,1-trifluoropropan-2-yloxy)aniline
CID 66274535
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
CID 63357348
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
CID 64855361
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 66276494) is 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide is CNC(=O)c1ccc(N)c(OC(C)C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is AUTRIQMRSJXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-6(11(12,13)14)18-9-5-7(10(17)16-2)3-4-8(9)15/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide?
4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 66276494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).