2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide

C17H13ClF3N3O2 — CID 67760925

IUPAC2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCOC(c2cccc(Cl)c2)=N1
InChIInChI=1S/C17H13ClF3N3O2/c18-13-3-1-2-11(10-13)15-23-24(8-9-26-15)16(25)22-14-6-4-12(5-7-14)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)
InChIKeyRZAHWEWWTBDRAC-UHFFFAOYSA-N
MW383.76 g/mol
LogP4.58
Rot. Bonds2

About 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide

2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide (PubChem CID 67760925) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide
PubChem CID67760925
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC Name2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCOC(c2cccc(Cl)c2)=N1
InChIInChI=1S/C17H13ClF3N3O2/c18-13-3-1-2-11(10-13)15-23-24(8-9-26-15)16(25)22-14-6-4-12(5-7-14)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)
InChIKeyRZAHWEWWTBDRAC-UHFFFAOYSA-N
XLogP4.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide (CID 67760925) is 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCOC(c2cccc(Cl)c2)=N1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide?
The InChIKey is RZAHWEWWTBDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c18-13-3-1-2-11(10-13)15-23-24(8-9-26-15)16(25)22-14-6-4-12(5-7-14)17(19,20)21/h1-7,10H,8-9H2,(H,22,25).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide?
2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide has a molecular weight of 383.76 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide is sourced from PubChem (CID 67760925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).