2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide

C18H19BrN2O4 — CID 78876056

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide
SMILESCCOc1cc(CNC(=O)Cc2cc3c(cc2Br)OCCO3)ccn1
InChIInChI=1S/C18H19BrN2O4/c1-2-23-18-7-12(3-4-20-18)11-21-17(22)9-13-8-15-16(10-14(13)19)25-6-5-24-15/h3-4,7-8,10H,2,5-6,9,11H2,1H3,(H,21,22)
InChIKeyAFYZRJHAIFDPBA-UHFFFAOYSA-N
MW407.26 g/mol
LogP2.87
Rot. Bonds6

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide (PubChem CID 78876056) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide
PubChem CID78876056
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide
SMILESCCOc1cc(CNC(=O)Cc2cc3c(cc2Br)OCCO3)ccn1
InChIInChI=1S/C18H19BrN2O4/c1-2-23-18-7-12(3-4-20-18)11-21-17(22)9-13-8-15-16(10-14(13)19)25-6-5-24-15/h3-4,7-8,10H,2,5-6,9,11H2,1H3,(H,21,22)
InChIKeyAFYZRJHAIFDPBA-UHFFFAOYSA-N
XLogP2.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18155595
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55714430
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]butanamide
CID 55723602
N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide
CID 51109269
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55707848
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 102554718
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 26902730
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26511026
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide (CID 78876056) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide is CCOc1cc(CNC(=O)Cc2cc3c(cc2Br)OCCO3)ccn1.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is AFYZRJHAIFDPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-2-23-18-7-12(3-4-20-18)11-21-17(22)9-13-8-15-16(10-14(13)19)25-6-5-24-15/h3-4,7-8,10H,2,5-6,9,11H2,1H3,(H,21,22).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 407.26 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 78876056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).