4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C15H12ClNO3 — CID 732523

IUPAC4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c16-11-3-1-10(2-4-11)15(18)17-12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9H,7-8H2,(H,17,18)
InChIKeyFJGNHALODPZTPM-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.36
Rot. Bonds2

About 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 732523) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID732523
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c16-11-3-1-10(2-4-11)15(18)17-12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9H,7-8H2,(H,17,18)
InChIKeyFJGNHALODPZTPM-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
2,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732530
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl acetate
CID 3155160
3,4-dichloro-N-(3-methoxyphenyl)benzamide
CID 835122
CeMMEC13
CID 110694558
4-Chloro-4'-ethoxybenzanilide
CID 587141
2-Chloro-M-benzanisidide
CID 687085
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide
CID 675323

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 732523) is 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is FJGNHALODPZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-11-3-1-10(2-4-11)15(18)17-12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9H,7-8H2,(H,17,18).
What are the key properties of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 289.72 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 732523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).