2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide

C11H14Cl2N2O3 — CID 60900938

IUPAC2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
SMILESNC(=O)CNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3/c12-9-2-1-8(3-10(9)13)18-6-7(16)4-15-5-11(14)17/h1-3,7,15-16H,4-6H2,(H2,14,17)
InChIKeyIFMLLTORCCCVFI-UHFFFAOYSA-N
MW293.15 g/mol
LogP0.81
Rot. Bonds7

About 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide

2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide (PubChem CID 60900938) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide.

Molecular Properties

Compound Name2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
PubChem CID60900938
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
SMILESNC(=O)CNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3/c12-9-2-1-8(3-10(9)13)18-6-7(16)4-15-5-11(14)17/h1-3,7,15-16H,4-6H2,(H2,14,17)
InChIKeyIFMLLTORCCCVFI-UHFFFAOYSA-N
XLogP0.81
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174321
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938962
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209571
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 62275385
N-[2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl]acetamide
CID 60632295
1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188238
3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
1-(3,4-dichlorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291336
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
[3-(3,4-dichlorophenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 70628472
4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146498

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide?
The IUPAC name of 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide (CID 60900938) is 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide.
What is the SMILES notation for 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide?
The canonical SMILES for 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide is NC(=O)CNCC(O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide?
The InChIKey is IFMLLTORCCCVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c12-9-2-1-8(3-10(9)13)18-6-7(16)4-15-5-11(14)17/h1-3,7,15-16H,4-6H2,(H2,14,17).
What are the key properties of 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide?
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide has a molecular weight of 293.15 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide is sourced from PubChem (CID 60900938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).