2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide

C19H20Cl2N2O3 — CID 112981199

IUPAC2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C19H20Cl2N2O3/c20-13-3-8-18(17(21)10-13)26-12-19(24)23-15-6-4-14(5-7-15)22-11-16-2-1-9-25-16/h3-8,10,16,22H,1-2,9,11-12H2,(H,23,24)
InChIKeyLTJROLLGSACOLH-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.60
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide (PubChem CID 112981199) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
PubChem CID112981199
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C19H20Cl2N2O3/c20-13-3-8-18(17(21)10-13)26-12-19(24)23-15-6-4-14(5-7-15)22-11-16-2-1-9-25-16/h3-8,10,16,22H,1-2,9,11-12H2,(H,23,24)
InChIKeyLTJROLLGSACOLH-UHFFFAOYSA-N
XLogP4.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40796730
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 137406946
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
3-chloro-4-ethoxy-N-(oxolan-2-ylmethyl)aniline
CID 82835543
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
CID 27242841
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 126274693
2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754121
2-(2,4-dichlorophenoxy)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754120

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide (CID 112981199) is 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The InChIKey is LTJROLLGSACOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c20-13-3-8-18(17(21)10-13)26-12-19(24)23-15-6-4-14(5-7-15)22-11-16-2-1-9-25-16/h3-8,10,16,22H,1-2,9,11-12H2,(H,23,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide has a molecular weight of 395.29 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 112981199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).