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

C15H11ClFNO3 — CID 110764768

IUPAC3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFNO3/c16-11-7-9(1-3-12(11)17)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyDQRVDYRZEKVWGB-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.50
Rot. Bonds2

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

3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide (PubChem CID 110764768) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
PubChem CID110764768
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFNO3/c16-11-7-9(1-3-12(11)17)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyDQRVDYRZEKVWGB-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109163738
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792690
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7417355
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-fluorobenzamide
CID 9191596
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide (CID 110764768) is 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide?
The InChIKey is DQRVDYRZEKVWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-11-7-9(1-3-12(11)17)15(19)18-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19).
What are the key properties of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide?
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide has a molecular weight of 307.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide is sourced from PubChem (CID 110764768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).