N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide

C23H18F4N2O2 — CID 138609293

IUPACN-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide
SMILESCc1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1
InChIInChI=1S/C23H18F4N2O2/c1-14-10-20(23(25,26)27)28-11-19(14)15-2-4-16(5-3-15)22(12-31-13-22)21(30)29-18-8-6-17(24)7-9-18/h2-11H,12-13H2,1H3,(H,29,30)
InChIKeyRXIIRKBYIBESDE-UHFFFAOYSA-N
MW430.40 g/mol
LogP5.12
Rot. Bonds4

About N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide

N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide (PubChem CID 138609293) has the molecular formula C23H18F4N2O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide
PubChem CID138609293
Molecular FormulaC23H18F4N2O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC NameN-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide
SMILESCc1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1
InChIInChI=1S/C23H18F4N2O2/c1-14-10-20(23(25,26)27)28-11-19(14)15-2-4-16(5-3-15)22(12-31-13-22)21(30)29-18-8-6-17(24)7-9-18/h2-11H,12-13H2,1H3,(H,29,30)
InChIKeyRXIIRKBYIBESDE-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide (CID 138609293) is N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide is Cc1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide?
The InChIKey is RXIIRKBYIBESDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O2/c1-14-10-20(23(25,26)27)28-11-19(14)15-2-4-16(5-3-15)22(12-31-13-22)21(30)29-18-8-6-17(24)7-9-18/h2-11H,12-13H2,1H3,(H,29,30).
What are the key properties of N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide?
N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]phenyl]oxetane-3-carboxamide is sourced from PubChem (CID 138609293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).