2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide

C13H17ClFNO3 — CID 99982776

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide
SMILESCOC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-13(18,8-19-2)7-16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,18H,6-8H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyPTBRPIIAXIDKPX-ZDUSSCGKSA-N
MW289.73 g/mol
LogP1.54
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide (PubChem CID 99982776) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide
PubChem CID99982776
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide
SMILESCOC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-13(18,8-19-2)7-16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,18H,6-8H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyPTBRPIIAXIDKPX-ZDUSSCGKSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide (CID 99982776) is 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide is COC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide?
The InChIKey is PTBRPIIAXIDKPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17ClFNO3/c1-13(18,8-19-2)7-16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,18H,6-8H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide has a molecular weight of 289.73 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]acetamide is sourced from PubChem (CID 99982776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).