4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide

C30H26F3NO3 — CID 3412602

IUPAC4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H26F3NO3/c1-29(2,21-7-5-4-6-8-21)22-11-16-25(17-12-22)37-27-18-13-23(30(31,32)33)19-26(27)34-28(35)20-9-14-24(36-3)15-10-20/h4-19H,1-3H3,(H,34,35)
InChIKeyNJIBUDQPSYIWNB-UHFFFAOYSA-N
MW505.54 g/mol
LogP8.08
Rot. Bonds7

About 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide

4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 3412602) has the molecular formula C30H26F3NO3 and a molecular weight of 505.54 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide
PubChem CID3412602
Molecular FormulaC30H26F3NO3
Molecular Weight505.54 g/mol
Exact Mass505.19
IUPAC Name4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H26F3NO3/c1-29(2,21-7-5-4-6-8-21)22-11-16-25(17-12-22)37-27-18-13-23(30(31,32)33)19-26(27)34-28(35)20-9-14-24(36-3)15-10-20/h4-19H,1-3H3,(H,34,35)
InChIKeyNJIBUDQPSYIWNB-UHFFFAOYSA-N
XLogP8.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.54
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide (CID 3412602) is 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NJIBUDQPSYIWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3NO3/c1-29(2,21-7-5-4-6-8-21)22-11-16-25(17-12-22)37-27-18-13-23(30(31,32)33)19-26(27)34-28(35)20-9-14-24(36-3)15-10-20/h4-19H,1-3H3,(H,34,35).
What are the key properties of 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide?
4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 505.54 g/mol, XLogP of 8.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3412602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).