2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H15F3N2O2 — CID 61113881

IUPAC2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cccc(N)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8-3-2-4-9(16)10(8)11(19)17(5-6-18)7-12(13,14)15/h2-4,18H,5-7,16H2,1H3
InChIKeyALJCXLKCEYDHDX-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide

2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 61113881) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID61113881
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cccc(N)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8-3-2-4-9(16)10(8)11(19)17(5-6-18)7-12(13,14)15/h2-4,18H,5-7,16H2,1H3
InChIKeyALJCXLKCEYDHDX-UHFFFAOYSA-N
XLogP1.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.57
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

2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61116148
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 103857428
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
4-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107479787
3-amino-2,5-difluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107120758
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
2-amino-N-(cyclopropylmethyl)-N-ethyl-6-methylbenzamide
CID 63954074
N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
CID 60653153

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 61113881) is 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cccc(N)c1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ALJCXLKCEYDHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8-3-2-4-9(16)10(8)11(19)17(5-6-18)7-12(13,14)15/h2-4,18H,5-7,16H2,1H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide?
2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 61113881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).