2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C12H14F3N3O3 — CID 107074540

IUPAC2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H14F3N3O3/c1-18(5-10(20)17-6-12(13,14)15)11(21)8-4-7(19)2-3-9(8)16/h2-4,19H,5-6,16H2,1H3,(H,17,20)
InChIKeyFYOKAIBVPXBHIW-UHFFFAOYSA-N
MW305.26 g/mol
LogP0.72
Rot. Bonds4

About 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 107074540) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID107074540
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H14F3N3O3/c1-18(5-10(20)17-6-12(13,14)15)11(21)8-4-7(19)2-3-9(8)16/h2-4,19H,5-6,16H2,1H3,(H,17,20)
InChIKeyFYOKAIBVPXBHIW-UHFFFAOYSA-N
XLogP0.72
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61107945
2-amino-4-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 63110244
2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61110031
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 61110220
2-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 60946474
2-(3-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 62498364
4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide
CID 61110785
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
CID 81228294
2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 107074426

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 107074540) is 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is FYOKAIBVPXBHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-18(5-10(20)17-6-12(13,14)15)11(21)8-4-7(19)2-3-9(8)16/h2-4,19H,5-6,16H2,1H3,(H,17,20).
What are the key properties of 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 305.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 107074540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).