N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide

C19H16ClNO4 — CID 18872138

IUPACN-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc4c(c3)OCO4)c2c(C)c1Cl
InChIInChI=1S/C19H16ClNO4/c1-10-5-16-18(11(2)19(10)20)12(8-23-16)6-17(22)21-13-3-4-14-15(7-13)25-9-24-14/h3-5,7-8H,6,9H2,1-2H3,(H,21,22)
InChIKeyDUDLRDUGWJGCFF-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.61
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 18872138) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID18872138
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc4c(c3)OCO4)c2c(C)c1Cl
InChIInChI=1S/C19H16ClNO4/c1-10-5-16-18(11(2)19(10)20)12(8-23-16)6-17(22)21-13-3-4-14-15(7-13)25-9-24-14/h3-5,7-8H,6,9H2,1-2H3,(H,21,22)
InChIKeyDUDLRDUGWJGCFF-UHFFFAOYSA-N
XLogP4.61
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2641720
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide
CID 18872161
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 1210774
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 2984880
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-triethylazanium
CID 2379667
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 18872138) is N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)Nc3ccc4c(c3)OCO4)c2c(C)c1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is DUDLRDUGWJGCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-10-5-16-18(11(2)19(10)20)12(8-23-16)6-17(22)21-13-3-4-14-15(7-13)25-9-24-14/h3-5,7-8H,6,9H2,1-2H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 357.79 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18872138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).