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

C13H14ClNO5 — CID 18139939

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2=COCCO2)cc1OC
InChIInChI=1S/C13H14ClNO5/c1-17-10-5-8(14)9(6-11(10)18-2)15-13(16)12-7-19-3-4-20-12/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyUJPMFTSNEOGWTA-UHFFFAOYSA-N
MW299.71 g/mol
LogP2.18
Rot. Bonds4

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

N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18139939) has the molecular formula C13H14ClNO5 and a molecular weight of 299.71 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18139939
Molecular FormulaC13H14ClNO5
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2=COCCO2)cc1OC
InChIInChI=1S/C13H14ClNO5/c1-17-10-5-8(14)9(6-11(10)18-2)15-13(16)12-7-19-3-4-20-12/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyUJPMFTSNEOGWTA-UHFFFAOYSA-N
XLogP2.18
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7778280
N-(5-tert-butyl-2-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7718762
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16552873
N-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113434383
N-(4-amino-3-methoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 61240817
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2-chloro-4,5-dimethoxyphenyl)-5-methylfuran-2-carboxamide
CID 18139943
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide
CID 30804395
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170505
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18139939) is N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1cc(Cl)c(NC(=O)C2=COCCO2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is UJPMFTSNEOGWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO5/c1-17-10-5-8(14)9(6-11(10)18-2)15-13(16)12-7-19-3-4-20-12/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 299.71 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18139939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).