2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide

C19H21Cl2NO5 — CID 47931716

IUPAC2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide
SMILESCOc1cccc(OC)c1OCC(O)CNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2NO5/c1-25-16-7-4-8-17(26-2)19(16)27-11-12(23)10-22-18(24)9-13-14(20)5-3-6-15(13)21/h3-8,12,23H,9-11H2,1-2H3,(H,22,24)
InChIKeyBLXGVUBOEVLOOH-UHFFFAOYSA-N
MW414.29 g/mol
LogP3.11
Rot. Bonds9

About 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide

2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide (PubChem CID 47931716) has the molecular formula C19H21Cl2NO5 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide
PubChem CID47931716
Molecular FormulaC19H21Cl2NO5
Molecular Weight414.29 g/mol
Exact Mass413.08
IUPAC Name2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide
SMILESCOc1cccc(OC)c1OCC(O)CNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2NO5/c1-25-16-7-4-8-17(26-2)19(16)27-11-12(23)10-22-18(24)9-13-14(20)5-3-6-15(13)21/h3-8,12,23H,9-11H2,1-2H3,(H,22,24)
InChIKeyBLXGVUBOEVLOOH-UHFFFAOYSA-N
XLogP3.11
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 47931599
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
CID 56552786
2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide
CID 86793604
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 47931855
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
CID 141307295
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
CID 111662700
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 66166034
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide (CID 47931716) is 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide is COc1cccc(OC)c1OCC(O)CNC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide?
The InChIKey is BLXGVUBOEVLOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO5/c1-25-16-7-4-8-17(26-2)19(16)27-11-12(23)10-22-18(24)9-13-14(20)5-3-6-15(13)21/h3-8,12,23H,9-11H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide?
2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide has a molecular weight of 414.29 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 47931716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).