(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide

C12H16F2N2O2 — CID 107479341

IUPAC(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
SMILESN[C@H](C(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C12H16F2N2O2/c13-10(14)8-16(6-7-17)12(18)11(15)9-4-2-1-3-5-9/h1-5,10-11,17H,6-8,15H2/t11-/m0/s1
InChIKeyFUJWHVMHXVXXTJ-NSHDSACASA-N
MW258.27 g/mol
LogP0.77
Rot. Bonds6

About (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide

(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide (PubChem CID 107479341) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
PubChem CID107479341
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
SMILESN[C@H](C(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C12H16F2N2O2/c13-10(14)8-16(6-7-17)12(18)11(15)9-4-2-1-3-5-9/h1-5,10-11,17H,6-8,15H2/t11-/m0/s1
InChIKeyFUJWHVMHXVXXTJ-NSHDSACASA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479516
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-phenylacetic acid
CID 107481648
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 107482734
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide (CID 107479341) is (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide is N[C@H](C(=O)N(CCO)CC(F)F)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide?
The InChIKey is FUJWHVMHXVXXTJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-10(14)8-16(6-7-17)12(18)11(15)9-4-2-1-3-5-9/h1-5,10-11,17H,6-8,15H2/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide?
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide has a molecular weight of 258.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide is sourced from PubChem (CID 107479341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).