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

C17H15Cl2NO3 — CID 46829045

IUPAC2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)NC1CCOc2ccccc21
InChIInChI=1S/C17H15Cl2NO3/c18-12-5-3-7-15(17(12)19)23-10-16(21)20-13-8-9-22-14-6-2-1-4-11(13)14/h1-7,13H,8-10H2,(H,20,21)
InChIKeyBTKLMTLISGZLNV-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.01
Rot. Bonds4

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

2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 46829045) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID46829045
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)NC1CCOc2ccccc21
InChIInChI=1S/C17H15Cl2NO3/c18-12-5-3-7-15(17(12)19)23-10-16(21)20-13-8-9-22-14-6-2-1-4-11(13)14/h1-7,13H,8-10H2,(H,20,21)
InChIKeyBTKLMTLISGZLNV-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-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46828800
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-amino-3-chlorobenzoate
CID 24531312
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
N'-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)oxamide
CID 51116847
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47008000
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 46828533
N-(3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 46608472
2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 46829045) is 2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(COc1cccc(Cl)c1Cl)NC1CCOc2ccccc21.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is BTKLMTLISGZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-12-5-3-7-15(17(12)19)23-10-16(21)20-13-8-9-22-14-6-2-1-4-11(13)14/h1-7,13H,8-10H2,(H,20,21).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(2,3-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-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 46829045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).