2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide

C20H21ClF3N3O5 — CID 155303069

IUPAC2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@@H](O)CCNC(=O)COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H21ClF3N3O5/c21-13-4-6-15(7-5-13)31-11-18(30)26-10-14(28)8-9-25-17(29)12-32-19-3-1-2-16(27-19)20(22,23)24/h1-7,14,28H,8-12H2,(H,25,29)(H,26,30)/t14-/m0/s1
InChIKeyDXUNSSVGAVOHPV-AWEZNQCLSA-N
MW475.85 g/mol
LogP2.19
Rot. Bonds11

About 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide

2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide (PubChem CID 155303069) has the molecular formula C20H21ClF3N3O5 and a molecular weight of 475.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide
PubChem CID155303069
Molecular FormulaC20H21ClF3N3O5
Molecular Weight475.85 g/mol
Exact Mass475.11
IUPAC Name2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@@H](O)CCNC(=O)COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H21ClF3N3O5/c21-13-4-6-15(7-5-13)31-11-18(30)26-10-14(28)8-9-25-17(29)12-32-19-3-1-2-16(27-19)20(22,23)24/h1-7,14,28H,8-12H2,(H,25,29)(H,26,30)/t14-/m0/s1
InChIKeyDXUNSSVGAVOHPV-AWEZNQCLSA-N
XLogP2.19
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.85
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide (CID 155303069) is 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide is O=C(COc1ccc(Cl)cc1)NC[C@@H](O)CCNC(=O)COc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide?
The InChIKey is DXUNSSVGAVOHPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21ClF3N3O5/c21-13-4-6-15(7-5-13)31-11-18(30)26-10-14(28)8-9-25-17(29)12-32-19-3-1-2-16(27-19)20(22,23)24/h1-7,14,28H,8-12H2,(H,25,29)(H,26,30)/t14-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide?
2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide has a molecular weight of 475.85 g/mol, XLogP of 2.19, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide is sourced from PubChem (CID 155303069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).