N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H11ClFNO3 — CID 26364276

IUPACN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11ClFNO3/c16-11-8-10(17)2-3-12(11)18-15(19)9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyYZVDHNIJODDZKH-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.50
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 26364276) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID26364276
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11ClFNO3/c16-11-8-10(17)2-3-12(11)18-15(19)9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyYZVDHNIJODDZKH-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-(2-chloro-4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3835365
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103766761
N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 7775065
N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 47093191
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16552873
N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1326741
N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627344
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 26364276) is N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is YZVDHNIJODDZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-11-8-10(17)2-3-12(11)18-15(19)9-1-4-13-14(7-9)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,18,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide 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 N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 26364276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).