2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

C17H17ClN2O4 — CID 18155595

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)ccn1
InChIInChI=1S/C17H17ClN2O4/c1-22-16-9-11(2-3-19-16)10-20-15(21)8-12-6-13(18)17-14(7-12)23-4-5-24-17/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,20,21)
InChIKeyAAPBFGSRNDPQRX-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.37
Rot. Bonds5

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (PubChem CID 18155595) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
PubChem CID18155595
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)ccn1
InChIInChI=1S/C17H17ClN2O4/c1-22-16-9-11(2-3-19-16)10-20-15(21)8-12-6-13(18)17-14(7-12)23-4-5-24-17/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,20,21)
InChIKeyAAPBFGSRNDPQRX-UHFFFAOYSA-N
XLogP2.37
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 51276808
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
5-chloro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55707283
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]quinoline-4-carboxamide
CID 112821366
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55747469
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 24524666
N-[2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]ethyl]-4-methoxybenzamide
CID 55880096
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide
CID 78876056
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31949082
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112821394
N-(2-acetamidoethyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 31947484

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (CID 18155595) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is COc1cc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)ccn1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is AAPBFGSRNDPQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-22-16-9-11(2-3-19-16)10-20-15(21)8-12-6-13(18)17-14(7-12)23-4-5-24-17/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,20,21).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 348.79 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 18155595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).