(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide

C16H12F5NO3 — CID 10713597

IUPAC(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide
SMILESO=C(N[C@H](CO)c1c(F)c(F)c(F)c(F)c1F)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H12F5NO3/c17-10-9(11(18)13(20)14(21)12(10)19)8(6-23)22-16(25)15(24)7-4-2-1-3-5-7/h1-5,8,15,23-24H,6H2,(H,22,25)/t8-,15+/m1/s1
InChIKeyCSXIVWMJDCCOSL-GLEZIHRCSA-N
MW361.27 g/mol
LogP2.27
Rot. Bonds5

About (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide

(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide (PubChem CID 10713597) has the molecular formula C16H12F5NO3 and a molecular weight of 361.27 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide
PubChem CID10713597
Molecular FormulaC16H12F5NO3
Molecular Weight361.27 g/mol
Exact Mass361.07
IUPAC Name(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide
SMILESO=C(N[C@H](CO)c1c(F)c(F)c(F)c(F)c1F)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H12F5NO3/c17-10-9(11(18)13(20)14(21)12(10)19)8(6-23)22-16(25)15(24)7-4-2-1-3-5-7/h1-5,8,15,23-24H,6H2,(H,22,25)/t8-,15+/m1/s1
InChIKeyCSXIVWMJDCCOSL-GLEZIHRCSA-N
XLogP2.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190
N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 110026135

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide (CID 10713597) is (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide is O=C(N[C@H](CO)c1c(F)c(F)c(F)c(F)c1F)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide?
The InChIKey is CSXIVWMJDCCOSL-GLEZIHRCSA-N. The full InChI is InChI=1S/C16H12F5NO3/c17-10-9(11(18)13(20)14(21)12(10)19)8(6-23)22-16(25)15(24)7-4-2-1-3-5-7/h1-5,8,15,23-24H,6H2,(H,22,25)/t8-,15+/m1/s1.
What are the key properties of (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide?
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide has a molecular weight of 361.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 10713597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).