N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C15H11BrFNO3 — CID 43614630

IUPACN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1cccc2c1OCCO2
InChIInChI=1S/C15H11BrFNO3/c16-11-8-9(17)4-5-12(11)18-15(19)10-2-1-3-13-14(10)21-7-6-20-13/h1-5,8H,6-7H2,(H,18,19)
InChIKeyUUYZCNWNYVEGDU-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.61
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 43614630) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID43614630
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC NameN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1cccc2c1OCCO2
InChIInChI=1S/C15H11BrFNO3/c16-11-8-9(17)4-5-12(11)18-15(19)10-2-1-3-13-14(10)21-7-6-20-13/h1-5,8H,6-7H2,(H,18,19)
InChIKeyUUYZCNWNYVEGDU-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 155977100
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86779974
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583790
N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699600
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 120881241
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52772937
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114307285
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-[(2-bromo-5-fluorophenyl)methyl]-1,3-benzodioxole-4-carboxamide
CID 55899212
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide
CID 26903005

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 43614630) is N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(Nc1ccc(F)cc1Br)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is UUYZCNWNYVEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c16-11-8-9(17)4-5-12(11)18-15(19)10-2-1-3-13-14(10)21-7-6-20-13/h1-5,8H,6-7H2,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 352.16 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 43614630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).