2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide

C15H18Cl2N2O4 — CID 52507381

IUPAC2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
SMILESC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C15H18Cl2N2O4/c1-10(15(21)19-4-6-22-7-5-19)18-14(20)9-23-13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9H2,1H3,(H,18,20)/t10-/m0/s1
InChIKeyTXYAAWVNVGEISZ-JTQLQIEISA-N
MW361.23 g/mol
LogP1.74
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide

2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide (PubChem CID 52507381) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
PubChem CID52507381
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
SMILESC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C15H18Cl2N2O4/c1-10(15(21)19-4-6-22-7-5-19)18-14(20)9-23-13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9H2,1H3,(H,18,20)/t10-/m0/s1
InChIKeyTXYAAWVNVGEISZ-JTQLQIEISA-N
XLogP1.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide (CID 52507381) is 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide is C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The InChIKey is TXYAAWVNVGEISZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-10(15(21)19-4-6-22-7-5-19)18-14(20)9-23-13-8-11(16)2-3-12(13)17/h2-3,8,10H,4-7,9H2,1H3,(H,18,20)/t10-/m0/s1.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide has a molecular weight of 361.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 52507381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).