3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H15F3N2O2 — CID 81089871

IUPAC3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-3-19-10-5-8(4-9(16)6-10)11(18)17(2)7-12(13,14)15/h4-6H,3,7,16H2,1-2H3
InChIKeyIDWZURXDQQTBIZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 81089871) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID81089871
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-3-19-10-5-8(4-9(16)6-10)11(18)17(2)7-12(13,14)15/h4-6H,3,7,16H2,1-2H3
InChIKeyIDWZURXDQQTBIZ-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 81092975
3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 81090070
3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913786
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
3-amino-5-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 81093808
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
CID 81090601
methyl 3-amino-5-ethoxybenzoate
CID 45089063

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 81089871) is 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCOc1cc(N)cc(C(=O)N(C)CC(F)(F)F)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IDWZURXDQQTBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-19-10-5-8(4-9(16)6-10)11(18)17(2)7-12(13,14)15/h4-6H,3,7,16H2,1-2H3.
What are the key properties of 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 81089871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).