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

C11H9ClFNO3 — CID 16552873

IUPACN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1=COCCO1
InChIInChI=1S/C11H9ClFNO3/c12-8-5-7(13)1-2-9(8)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyQMPHQMKFKXDXKL-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.31
Rot. Bonds2

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

N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 16552873) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID16552873
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1=COCCO1
InChIInChI=1S/C11H9ClFNO3/c12-8-5-7(13)1-2-9(8)14-11(15)10-6-16-3-4-17-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyQMPHQMKFKXDXKL-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.31
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-(2-bromo-5-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103753527
N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 26086552
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26364276
N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18139939
N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113434383
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 112831204
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
N-(2-methyl-4-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 61131286
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16550996
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18083912
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 16552873) is N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccc(F)cc1Cl)C1=COCCO1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QMPHQMKFKXDXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c12-8-5-7(13)1-2-9(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-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 257.65 g/mol, XLogP of 2.31, 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-dioxine-5-carboxamide is sourced from PubChem (CID 16552873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).