N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

C11H12F4N2O2 — CID 107493495

IUPACN-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESNCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H12F4N2O2/c12-7-1-2-9(18)8(5-7)10(19)17(4-3-16)6-11(13,14)15/h1-2,5,18H,3-4,6,16H2
InChIKeyREACQMMKHLMNGO-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.49
Rot. Bonds4

About N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107493495) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107493495
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC NameN-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESNCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H12F4N2O2/c12-7-1-2-9(18)8(5-7)10(19)17(4-3-16)6-11(13,14)15/h1-2,5,18H,3-4,6,16H2
InChIKeyREACQMMKHLMNGO-UHFFFAOYSA-N
XLogP1.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.49
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-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107491968
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
N,N-bis(cyanomethyl)-5-fluoro-2-hydroxybenzamide
CID 113281596
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-5-fluoro-2-hydroxybenzamide
CID 113281569
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107493584

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107493495) is N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is NCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is REACQMMKHLMNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-7-1-2-9(18)8(5-7)10(19)17(4-3-16)6-11(13,14)15/h1-2,5,18H,3-4,6,16H2.
What are the key properties of N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 280.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107493495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).