2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide

C18H20Cl2N2O3 — CID 112820790

IUPAC2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)CC(O)COc1ccccc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c1-22(11-18(24)21-14-6-4-5-13(19)9-14)10-15(23)12-25-17-8-3-2-7-16(17)20/h2-9,15,23H,10-12H2,1H3,(H,21,24)
InChIKeyUMBUWDWSGLTDBF-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.30
Rot. Bonds8

About 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide

2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide (PubChem CID 112820790) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
PubChem CID112820790
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)CC(O)COc1ccccc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c1-22(11-18(24)21-14-6-4-5-13(19)9-14)10-15(23)12-25-17-8-3-2-7-16(17)20/h2-9,15,23H,10-12H2,1H3,(H,21,24)
InChIKeyUMBUWDWSGLTDBF-UHFFFAOYSA-N
XLogP3.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide
CID 46561692
2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide
CID 43374456
N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62014016
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide (CID 112820790) is 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide is CN(CC(=O)Nc1cccc(Cl)c1)CC(O)COc1ccccc1Cl.
What is the InChIKey of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide?
The InChIKey is UMBUWDWSGLTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-22(11-18(24)21-14-6-4-5-13(19)9-14)10-15(23)12-25-17-8-3-2-7-16(17)20/h2-9,15,23H,10-12H2,1H3,(H,21,24).
What are the key properties of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide?
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide has a molecular weight of 383.28 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 112820790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).