(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

C12H16F2N2O2 — CID 104905584

IUPAC(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CC(F)F)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C12H16F2N2O2/c1-16(7-11(13)14)12(18)10(15)6-8-2-4-9(17)5-3-8/h2-5,10-11,17H,6-7,15H2,1H3/t10-/m1/s1
InChIKeyUAXYBBOHPQUHSM-SNVBAGLBSA-N
MW258.27 g/mol
LogP0.99
Rot. Bonds5

About (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 104905584) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID104905584
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CC(F)F)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C12H16F2N2O2/c1-16(7-11(13)14)12(18)10(15)6-8-2-4-9(17)5-3-8/h2-5,10-11,17H,6-7,15H2,1H3/t10-/m1/s1
InChIKeyUAXYBBOHPQUHSM-SNVBAGLBSA-N
XLogP0.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 107199354
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905545
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 77008821

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 104905584) is (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is CN(CC(F)F)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is UAXYBBOHPQUHSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-16(7-11(13)14)12(18)10(15)6-8-2-4-9(17)5-3-8/h2-5,10-11,17H,6-7,15H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 258.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 104905584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).