2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide

C13H17F2NO2 — CID 97245023

IUPAC2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide
SMILESC[C@@H](CO)[C@@H](C)NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-8(7-17)9(2)16-12(18)6-10-4-3-5-11(14)13(10)15/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18)/t8-,9+/m0/s1
InChIKeyGLJQRPFNPHBVRS-DTWKUNHWSA-N
MW257.28 g/mol
LogP1.64
Rot. Bonds5

About 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide

2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide (PubChem CID 97245023) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide
PubChem CID97245023
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide
SMILESC[C@@H](CO)[C@@H](C)NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-8(7-17)9(2)16-12(18)6-10-4-3-5-11(14)13(10)15/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18)/t8-,9+/m0/s1
InChIKeyGLJQRPFNPHBVRS-DTWKUNHWSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114311830
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391
(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
CID 107563589
2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 113484647
2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 115734976
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
CID 111778068
2-[[2-(2,3-difluorophenyl)acetyl]amino]-3-sulfopropanoic acid
CID 89123761

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide (CID 97245023) is 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide is C[C@@H](CO)[C@@H](C)NC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide?
The InChIKey is GLJQRPFNPHBVRS-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(7-17)9(2)16-12(18)6-10-4-3-5-11(14)13(10)15/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18)/t8-,9+/m0/s1.
What are the key properties of 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide?
2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide has a molecular weight of 257.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 97245023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).