N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide

C34H23F3N2O3 — CID 68808186

IUPACN-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc(-c3ccc(Oc4ccccc4)cc3)c3c2CNC3=O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C34H23F3N2O3/c35-34(36,37)24-8-4-7-23(18-24)32(40)39-25-9-5-6-22(19-25)28-16-17-29(31-30(28)20-38-33(31)41)21-12-14-27(15-13-21)42-26-10-2-1-3-11-26/h1-19H,20H2,(H,38,41)(H,39,40)
InChIKeyFRVXVGKOGFMUJN-UHFFFAOYSA-N
MW564.56 g/mol
LogP8.33
Rot. Bonds6

About N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 68808186) has the molecular formula C34H23F3N2O3 and a molecular weight of 564.56 g/mol. Its IUPAC name is N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID68808186
Molecular FormulaC34H23F3N2O3
Molecular Weight564.56 g/mol
Exact Mass564.17
IUPAC NameN-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc(-c3ccc(Oc4ccccc4)cc3)c3c2CNC3=O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C34H23F3N2O3/c35-34(36,37)24-8-4-7-23(18-24)32(40)39-25-9-5-6-22(19-25)28-16-17-29(31-30(28)20-38-33(31)41)21-12-14-27(15-13-21)42-26-10-2-1-3-11-26/h1-19H,20H2,(H,38,41)(H,39,40)
InChIKeyFRVXVGKOGFMUJN-UHFFFAOYSA-N
XLogP8.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.56
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 68808186) is N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2ccc(-c3ccc(Oc4ccccc4)cc3)c3c2CNC3=O)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FRVXVGKOGFMUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23F3N2O3/c35-34(36,37)24-8-4-7-23(18-24)32(40)39-25-9-5-6-22(19-25)28-16-17-29(31-30(28)20-38-33(31)41)21-12-14-27(15-13-21)42-26-10-2-1-3-11-26/h1-19H,20H2,(H,38,41)(H,39,40).
What are the key properties of N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 564.56 g/mol, XLogP of 8.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-oxo-7-(4-phenoxyphenyl)-2,3-dihydroisoindol-4-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 68808186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).