2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C17H15Cl2NO3 — CID 46828800

IUPAC2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC1CCOc2ccccc21
InChIInChI=1S/C17H15Cl2NO3/c18-13-6-5-11(9-14(13)19)23-10-17(21)20-15-7-8-22-16-4-2-1-3-12(15)16/h1-6,9,15H,7-8,10H2,(H,20,21)
InChIKeyPRZQIFMVKZMNEK-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.01
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 46828800) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID46828800
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC1CCOc2ccccc21
InChIInChI=1S/C17H15Cl2NO3/c18-13-6-5-11(9-14(13)19)23-10-17(21)20-15-7-8-22-16-4-2-1-3-12(15)16/h1-6,9,15H,7-8,10H2,(H,20,21)
InChIKeyPRZQIFMVKZMNEK-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 18193059
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 35338499
N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
CID 46978872
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47008000
2-(3,4-dichlorophenoxy)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239398
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 46828533
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-amino-3-chlorobenzoate
CID 24531312
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 46828800) is 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is PRZQIFMVKZMNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-13-6-5-11(9-14(13)19)23-10-17(21)20-15-7-8-22-16-4-2-1-3-12(15)16/h1-6,9,15H,7-8,10H2,(H,20,21).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 352.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 46828800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).