N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide

C17H14ClNO4 — CID 2834224

IUPACN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2
InChIInChI=1S/C17H14ClNO4/c1-10(20)13-8-15-16(23-7-6-22-15)9-14(13)19-17(21)11-2-4-12(18)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyOHDSYTKFWCSBLB-UHFFFAOYSA-N
MW331.75 g/mol
LogP3.57
Rot. Bonds3

About N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide (PubChem CID 2834224) has the molecular formula C17H14ClNO4 and a molecular weight of 331.75 g/mol. Its IUPAC name is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide
PubChem CID2834224
Molecular FormulaC17H14ClNO4
Molecular Weight331.75 g/mol
Exact Mass331.06
IUPAC NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2
InChIInChI=1S/C17H14ClNO4/c1-10(20)13-8-15-16(23-7-6-22-15)9-14(13)19-17(21)11-2-4-12(18)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyOHDSYTKFWCSBLB-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide?
The IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide (CID 2834224) is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide?
The canonical SMILES for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide is CC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2.
What is the InChIKey of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide?
The InChIKey is OHDSYTKFWCSBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-10(20)13-8-15-16(23-7-6-22-15)9-14(13)19-17(21)11-2-4-12(18)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,19,21).
What are the key properties of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide?
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide has a molecular weight of 331.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-chlorobenzamide is sourced from PubChem (CID 2834224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).