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

C12H16Cl2N2O4 — CID 106174321

IUPAC3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O4/c13-9-2-1-8(3-10(9)14)20-6-7(17)4-16-5-11(18)12(15)19/h1-3,7,11,16-18H,4-6H2,(H2,15,19)
InChIKeyVPXGAEHNPHFCPH-UHFFFAOYSA-N
MW323.18 g/mol
LogP0.17
Rot. Bonds8

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

3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide (PubChem CID 106174321) has the molecular formula C12H16Cl2N2O4 and a molecular weight of 323.18 g/mol. Its IUPAC name is 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
PubChem CID106174321
Molecular FormulaC12H16Cl2N2O4
Molecular Weight323.18 g/mol
Exact Mass322.05
IUPAC Name3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O4/c13-9-2-1-8(3-10(9)14)20-6-7(17)4-16-5-11(18)12(15)19/h1-3,7,11,16-18H,4-6H2,(H2,15,19)
InChIKeyVPXGAEHNPHFCPH-UHFFFAOYSA-N
XLogP0.17
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 60900938
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938962
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209571
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
3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188238
4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146498
1-(3,4-dichlorophenoxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 82715506
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-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174960

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide (CID 106174321) is 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNCC(O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The InChIKey is VPXGAEHNPHFCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4/c13-9-2-1-8(3-10(9)14)20-6-7(17)4-16-5-11(18)12(15)19/h1-3,7,11,16-18H,4-6H2,(H2,15,19).
What are the key properties of 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide?
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide has a molecular weight of 323.18 g/mol, XLogP of 0.17, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).