N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H9ClF3NO3 — CID 4847560

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1=COCCO1
InChIInChI=1S/C12H9ClF3NO3/c13-8-2-1-7(12(14,15)16)5-9(8)17-11(18)10-6-19-3-4-20-10/h1-2,5-6H,3-4H2,(H,17,18)
InChIKeyIDAHXWOQLPSEEA-UHFFFAOYSA-N
MW307.66 g/mol
LogP3.19
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 4847560) has the molecular formula C12H9ClF3NO3 and a molecular weight of 307.66 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID4847560
Molecular FormulaC12H9ClF3NO3
Molecular Weight307.66 g/mol
Exact Mass307.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1=COCCO1
InChIInChI=1S/C12H9ClF3NO3/c13-8-2-1-7(12(14,15)16)5-9(8)17-11(18)10-6-19-3-4-20-10/h1-2,5-6H,3-4H2,(H,17,18)
InChIKeyIDAHXWOQLPSEEA-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholinoacetamide
CID 676222
[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2357003
[1-[2-Chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 4569276
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18082593
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170180
N-(2-chloro-5-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 44312359
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 2725733
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16552873
N-(2-chloro-4-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 53520847
(Z)-3-(4-chlorophenyl)-2-methoxy-N-phenylprop-2-enamide
CID 56968408
(Z)-3-(4-chlorophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide
CID 56968409
N-(5-chloro-2-methylphenyl)-5-ethoxy-4-oxo-4H-pyran-2-carboxamide
CID 30860266

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 4847560) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1=COCCO1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is IDAHXWOQLPSEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO3/c13-8-2-1-7(12(14,15)16)5-9(8)17-11(18)10-6-19-3-4-20-10/h1-2,5-6H,3-4H2,(H,17,18).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 307.66 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 4847560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).