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

C19H16F3NO5 — CID 18077750

IUPACN-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2=COCCO2)c1
InChIInChI=1S/C19H16F3NO5/c1-25-13-3-2-4-14(10-13)28-16-6-5-12(19(20,21)22)9-15(16)23-18(24)17-11-26-7-8-27-17/h2-6,9-11H,7-8H2,1H3,(H,23,24)
InChIKeyQOIMVPHRKRUXMJ-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.33
Rot. Bonds5

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

N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18077750) has the molecular formula C19H16F3NO5 and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18077750
Molecular FormulaC19H16F3NO5
Molecular Weight395.33 g/mol
Exact Mass395.10
IUPAC NameN-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2=COCCO2)c1
InChIInChI=1S/C19H16F3NO5/c1-25-13-3-2-4-14(10-13)28-16-6-5-12(19(20,21)22)9-15(16)23-18(24)17-11-26-7-8-27-17/h2-6,9-11H,7-8H2,1H3,(H,23,24)
InChIKeyQOIMVPHRKRUXMJ-UHFFFAOYSA-N
XLogP4.33
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18077750) is N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2=COCCO2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QOIMVPHRKRUXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO5/c1-25-13-3-2-4-14(10-13)28-16-6-5-12(19(20,21)22)9-15(16)23-18(24)17-11-26-7-8-27-17/h2-6,9-11H,7-8H2,1H3,(H,23,24).
What are the key properties of N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 395.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18077750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).