N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C23H19F3N2O2 — CID 135133690

IUPACN-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1
InChIInChI=1S/C23H19F3N2O2/c1-14-21(16-5-2-4-15(8-16)18-12-30-13-18)10-20(11-27-14)28-22(29)17-6-3-7-19(9-17)23(24,25)26/h2-11,18H,12-13H2,1H3,(H,28,29)
InChIKeyFXNXFVFPIIFJDM-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.44
Rot. Bonds4

About N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 135133690) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID135133690
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC NameN-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1
InChIInChI=1S/C23H19F3N2O2/c1-14-21(16-5-2-4-15(8-16)18-12-30-13-18)10-20(11-27-14)28-22(29)17-6-3-7-19(9-17)23(24,25)26/h2-11,18H,12-13H2,1H3,(H,28,29)
InChIKeyFXNXFVFPIIFJDM-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 135133690) is N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.
What is the InChIKey of N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FXNXFVFPIIFJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-14-21(16-5-2-4-15(8-16)18-12-30-13-18)10-20(11-27-14)28-22(29)17-6-3-7-19(9-17)23(24,25)26/h2-11,18H,12-13H2,1H3,(H,28,29).
What are the key properties of N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 412.41 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 135133690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).