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

C11H9BrFNO3 — CID 103753527

IUPACN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1=COCCO1
InChIInChI=1S/C11H9BrFNO3/c12-8-2-1-7(13)5-9(8)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeySWYWLXLOPLSULO-UHFFFAOYSA-N
MW302.10 g/mol
LogP2.41
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 103753527) has the molecular formula C11H9BrFNO3 and a molecular weight of 302.10 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID103753527
Molecular FormulaC11H9BrFNO3
Molecular Weight302.10 g/mol
Exact Mass300.97
IUPAC NameN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1=COCCO1
InChIInChI=1S/C11H9BrFNO3/c12-8-2-1-7(13)5-9(8)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeySWYWLXLOPLSULO-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170505
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16552873
N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 26086552
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 112831204
N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103789893
(2-bromo-5-fluorophenyl)urea
CID 99639427
N-(4-bromo-2,6-dimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 60793250
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18083912
2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
CID 103756062
N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 51072460
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 103753527) is N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cc(F)ccc1Br)C1=COCCO1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is SWYWLXLOPLSULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO3/c12-8-2-1-7(13)5-9(8)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 302.10 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 103753527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).