2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide

C18H19ClN2O4 — CID 135114402

IUPAC2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
SMILESCC(CNC(=O)Cc1cc2c(cc1Cl)OCCO2)Oc1cccnc1
InChIInChI=1S/C18H19ClN2O4/c1-12(25-14-3-2-4-20-11-14)10-21-18(22)8-13-7-16-17(9-15(13)19)24-6-5-23-16/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,21,22)
InChIKeyOBGZALPXFMTZTE-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.63
Rot. Bonds6

About 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide (PubChem CID 135114402) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
PubChem CID135114402
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
SMILESCC(CNC(=O)Cc1cc2c(cc1Cl)OCCO2)Oc1cccnc1
InChIInChI=1S/C18H19ClN2O4/c1-12(25-14-3-2-4-20-11-14)10-21-18(22)8-13-7-16-17(9-15(13)19)24-6-5-23-16/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,21,22)
InChIKeyOBGZALPXFMTZTE-UHFFFAOYSA-N
XLogP2.63
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide
CID 169421708
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
N-[2-(4-chlorophenoxy)propyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 71993784
1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide
CID 90649368
N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135099380
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea
CID 121499125
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide
CID 46997457
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
CID 91766713

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide (CID 135114402) is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide is CC(CNC(=O)Cc1cc2c(cc1Cl)OCCO2)Oc1cccnc1.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide?
The InChIKey is OBGZALPXFMTZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12(25-14-3-2-4-20-11-14)10-21-18(22)8-13-7-16-17(9-15(13)19)24-6-5-23-16/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,21,22).
What are the key properties of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide?
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide has a molecular weight of 362.81 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide is sourced from PubChem (CID 135114402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).