2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide

C17H16ClNO3 — CID 51276762

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1
InChIInChI=1S/C17H16ClNO3/c1-11-2-4-13(5-3-11)19-16(20)10-12-8-14(18)17-15(9-12)21-6-7-22-17/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyGVELDRNFWMILIV-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.60
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide (PubChem CID 51276762) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
PubChem CID51276762
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1
InChIInChI=1S/C17H16ClNO3/c1-11-2-4-13(5-3-11)19-16(20)10-12-8-14(18)17-15(9-12)21-6-7-22-17/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyGVELDRNFWMILIV-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27018713
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 51276808
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide
CID 35053547
N-tert-butyl-4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]benzamide
CID 55549416
2-[4-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]phenyl]-N,N-dimethylacetamide
CID 55798255
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N'-[2-(4-methylanilino)acetyl]acetohydrazide
CID 18206093
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 55550911
N-[4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
CID 55964678
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 41489839
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519291
4-[3-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-ethylamino]propanoylamino]benzamide
CID 31412301
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 18280392

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide (CID 51276762) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is GVELDRNFWMILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-11-2-4-13(5-3-11)19-16(20)10-12-8-14(18)17-15(9-12)21-6-7-22-17/h2-5,8-9H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 317.77 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51276762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).