N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H15F3N2O2 — CID 107493496

IUPACN-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8-9(3-2-4-10(8)18)11(19)17(6-5-16)7-12(13,14)15/h2-4,18H,5-7,16H2,1H3
InChIKeyPFNJOJFFEWUEIA-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.66
Rot. Bonds4

About N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107493496) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107493496
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8-9(3-2-4-10(8)18)11(19)17(6-5-16)7-12(13,14)15/h2-4,18H,5-7,16H2,1H3
InChIKeyPFNJOJFFEWUEIA-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493495
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107493584
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 107493496) is N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1c(O)cccc1C(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PFNJOJFFEWUEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8-9(3-2-4-10(8)18)11(19)17(6-5-16)7-12(13,14)15/h2-4,18H,5-7,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107493496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).