2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide

C52H46F4N4O4 — CID 67308255

IUPAC2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCC(=O)c1ccc(-c2cccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cc1.COc1cc(NC(=O)C(C)c2cc(F)cc(C(F)(F)F)c2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C29H26N2O2.C23H20F4N2O2/c1-19-17-27(15-16-30-19)24-11-13-28(14-12-24)31-29(33)20(2)25-5-4-6-26(18-25)23-9-7-22(8-10-23)21(3)32;1-13-8-15(6-7-28-13)20-5-4-19(12-21(20)31-3)29-22(30)14(2)16-9-17(23(25,26)27)11-18(24)10-16/h4-18,20H,1-3H3,(H,31,33);4-12,14H,1-3H3,(H,29,30)
InChIKeyOSGDSGPFUROAJS-UHFFFAOYSA-N
MW866.96 g/mol
LogP12.63
Rot. Bonds11

About 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide

2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 67308255) has the molecular formula C52H46F4N4O4 and a molecular weight of 866.96 g/mol. Its IUPAC name is 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID67308255
Molecular FormulaC52H46F4N4O4
Molecular Weight866.96 g/mol
Exact Mass866.35
IUPAC Name2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCC(=O)c1ccc(-c2cccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cc1.COc1cc(NC(=O)C(C)c2cc(F)cc(C(F)(F)F)c2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C29H26N2O2.C23H20F4N2O2/c1-19-17-27(15-16-30-19)24-11-13-28(14-12-24)31-29(33)20(2)25-5-4-6-26(18-25)23-9-7-22(8-10-23)21(3)32;1-13-8-15(6-7-28-13)20-5-4-19(12-21(20)31-3)29-22(30)14(2)16-9-17(23(25,26)27)11-18(24)10-16/h4-18,20H,1-3H3,(H,31,33);4-12,14H,1-3H3,(H,29,30)
InChIKeyOSGDSGPFUROAJS-UHFFFAOYSA-N
XLogP12.63
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.96
LogP ≤ 512.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 67308255) is 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide is CC(=O)c1ccc(-c2cccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cc1.COc1cc(NC(=O)C(C)c2cc(F)cc(C(F)(F)F)c2)ccc1-c1ccnc(C)c1.
What is the InChIKey of 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is OSGDSGPFUROAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2.C23H20F4N2O2/c1-19-17-27(15-16-30-19)24-11-13-28(14-12-24)31-29(33)20(2)25-5-4-6-26(18-25)23-9-7-22(8-10-23)21(3)32;1-13-8-15(6-7-28-13)20-5-4-19(12-21(20)31-3)29-22(30)14(2)16-9-17(23(25,26)27)11-18(24)10-16/h4-18,20H,1-3H3,(H,31,33);4-12,14H,1-3H3,(H,29,30).
What are the key properties of 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 866.96 g/mol, XLogP of 12.63, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-acetylphenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide;2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 67308255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).