2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide

C15H10ClF2NO3 — CID 675323

IUPAC2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H10ClF2NO3/c16-10-7-12(18)11(17)6-9(10)15(20)19-8-1-2-13-14(5-8)22-4-3-21-13/h1-2,5-7H,3-4H2,(H,19,20)
InChIKeyJSAFZNSSVSZCBE-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.64
Rot. Bonds2

About 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide (PubChem CID 675323) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide
PubChem CID675323
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H10ClF2NO3/c16-10-7-12(18)11(17)6-9(10)15(20)19-8-1-2-13-14(5-8)22-4-3-21-13/h1-2,5-7H,3-4H2,(H,19,20)
InChIKeyJSAFZNSSVSZCBE-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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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
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
2-Chloro-M-benzanisidide
CID 687085
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
4-Chloro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzamide
CID 732523
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732524
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 775158

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide (CID 675323) is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide?
The InChIKey is JSAFZNSSVSZCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-10-7-12(18)11(17)6-9(10)15(20)19-8-1-2-13-14(5-8)22-4-3-21-13/h1-2,5-7H,3-4H2,(H,19,20).
What are the key properties of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide?
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide has a molecular weight of 325.70 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide is sourced from PubChem (CID 675323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).