N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide

C11H13F3N2O3 — CID 107726469

IUPACN-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESNCCN(CC(F)(F)F)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)6-16(4-3-15)10(19)8-2-1-7(17)5-9(8)18/h1-2,5,17-18H,3-4,6,15H2
InChIKeyZMAUQSPYWQGWJI-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.06
Rot. Bonds4

About N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107726469) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107726469
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESNCCN(CC(F)(F)F)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)6-16(4-3-15)10(19)8-2-1-7(17)5-9(8)18/h1-2,5,17-18H,3-4,6,15H2
InChIKeyZMAUQSPYWQGWJI-UHFFFAOYSA-N
XLogP1.06
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726301
N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493495
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107491968
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107493584
N-(2-aminoethyl)-2-(3-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107493683
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 61351225
N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
CID 107674367
2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid
CID 107434887
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide
CID 107493646
2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106500354

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107726469) is N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide is NCCN(CC(F)(F)F)C(=O)c1ccc(O)cc1O.
What is the InChIKey of N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ZMAUQSPYWQGWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)6-16(4-3-15)10(19)8-2-1-7(17)5-9(8)18/h1-2,5,17-18H,3-4,6,15H2.
What are the key properties of N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 278.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107726469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).