N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide

C24H20F3NO2 — CID 118948796

IUPACN-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1
InChIInChI=1S/C24H20F3NO2/c1-15-8-9-21(28-23(29)18-6-3-7-20(11-18)24(25,26)27)12-22(15)17-5-2-4-16(10-17)19-13-30-14-19/h2-12,19H,13-14H2,1H3,(H,28,29)
InChIKeyDXELCDSUXSXDKL-UHFFFAOYSA-N
MW411.42 g/mol
LogP6.05
Rot. Bonds4

About N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 118948796) has the molecular formula C24H20F3NO2 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID118948796
Molecular FormulaC24H20F3NO2
Molecular Weight411.42 g/mol
Exact Mass411.14
IUPAC NameN-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1
InChIInChI=1S/C24H20F3NO2/c1-15-8-9-21(28-23(29)18-6-3-7-20(11-18)24(25,26)27)12-22(15)17-5-2-4-16(10-17)19-13-30-14-19/h2-12,19H,13-14H2,1H3,(H,28,29)
InChIKeyDXELCDSUXSXDKL-UHFFFAOYSA-N
XLogP6.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide (CID 118948796) is N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.
What is the InChIKey of N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DXELCDSUXSXDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO2/c1-15-8-9-21(28-23(29)18-6-3-7-20(11-18)24(25,26)27)12-22(15)17-5-2-4-16(10-17)19-13-30-14-19/h2-12,19H,13-14H2,1H3,(H,28,29).
What are the key properties of N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 411.42 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[3-(oxetan-3-yl)phenyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118948796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).