2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C13H15Cl2NO3 — CID 2419982

IUPAC2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCO1
InChIInChI=1S/C13H15Cl2NO3/c14-11-4-3-9(6-12(11)15)19-8-13(17)16-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,16,17)/t10-/m1/s1
InChIKeyJFBYZDZZFCLARZ-SNVBAGLBSA-N
MW304.17 g/mol
LogP2.67
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 2419982) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID2419982
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCO1
InChIInChI=1S/C13H15Cl2NO3/c14-11-4-3-9(6-12(11)15)19-8-13(17)16-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,16,17)/t10-/m1/s1
InChIKeyJFBYZDZZFCLARZ-SNVBAGLBSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-cyanophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 99830322
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404420
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3,4-dichlorobenzoate
CID 7864832
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
2-(3,4-dichlorophenoxy)-N-[[(3S,4R)-4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide
CID 146366190
2-(4-bromo-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2922415
2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 172658899
2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 5059346

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 2419982) is 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCO1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is JFBYZDZZFCLARZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-11-4-3-9(6-12(11)15)19-8-13(17)16-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 304.17 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 2419982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).