2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C11H13F3N2O2 — CID 54904342

IUPAC2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(N)c(C(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-16(6-11(12,13)14)10(17)8-5-7(18-2)3-4-9(8)15/h3-5H,6,15H2,1-2H3
InChIKeyIDNFZGDMGJFYAF-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.91
Rot. Bonds3

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

2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 54904342) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID54904342
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(N)c(C(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-16(6-11(12,13)14)10(17)8-5-7(18-2)3-4-9(8)15/h3-5H,6,15H2,1-2H3
InChIKeyIDNFZGDMGJFYAF-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.91
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

2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
CID 54878508
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2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115514769
3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 91662216
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]-2,2,2-trifluoroacetamide
CID 162537495

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 54904342) is 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(N)c(C(=O)N(C)CC(F)(F)F)c1.
What is the InChIKey of 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IDNFZGDMGJFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-16(6-11(12,13)14)10(17)8-5-7(18-2)3-4-9(8)15/h3-5H,6,15H2,1-2H3.
What are the key properties of 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 54904342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).