2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide

C13H16Cl2N2O3 — CID 106235366

IUPAC2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H16Cl2N2O3/c14-8-5-9-11(17-2-4-19-7-12(16)18)1-3-20-13(9)10(15)6-8/h5-6,11,17H,1-4,7H2,(H2,16,18)
InChIKeyAFEZTSKPMYPMRF-UHFFFAOYSA-N
MW319.19 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide

2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide (PubChem CID 106235366) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
PubChem CID106235366
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H16Cl2N2O3/c14-8-5-9-11(17-2-4-19-7-12(16)18)1-3-20-13(9)10(15)6-8/h5-6,11,17H,1-4,7H2,(H2,16,18)
InChIKeyAFEZTSKPMYPMRF-UHFFFAOYSA-N
XLogP1.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115708014
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920158
3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 103788042
methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
CID 43787215
6,8-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 64548316
6,8-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 106395863
3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270591
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide (CID 106235366) is 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide is NC(=O)COCCNC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide?
The InChIKey is AFEZTSKPMYPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c14-8-5-9-11(17-2-4-19-7-12(16)18)1-3-20-13(9)10(15)6-8/h5-6,11,17H,1-4,7H2,(H2,16,18).
What are the key properties of 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide?
2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide has a molecular weight of 319.19 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106235366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).