N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

C28H24F3N3O3 — CID 147285112

IUPACN-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCC(=O)C1=NCc2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)ccc21
InChIInChI=1S/C28H24F3N3O3/c1-17(35)26-25-6-5-19(11-21(25)16-32-26)18-3-2-4-23(13-18)33-27(36)20-12-22(28(29,30)31)15-24(14-20)34-7-9-37-10-8-34/h2-6,11-15H,7-10,16H2,1H3,(H,33,36)
InChIKeyCTBVXHAVPMCTFH-UHFFFAOYSA-N
MW507.51 g/mol
LogP5.35
Rot. Bonds5

About N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 147285112) has the molecular formula C28H24F3N3O3 and a molecular weight of 507.51 g/mol. Its IUPAC name is N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID147285112
Molecular FormulaC28H24F3N3O3
Molecular Weight507.51 g/mol
Exact Mass507.18
IUPAC NameN-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCC(=O)C1=NCc2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)ccc21
InChIInChI=1S/C28H24F3N3O3/c1-17(35)26-25-6-5-19(11-21(25)16-32-26)18-3-2-4-23(13-18)33-27(36)20-12-22(28(29,30)31)15-24(14-20)34-7-9-37-10-8-34/h2-6,11-15H,7-10,16H2,1H3,(H,33,36)
InChIKeyCTBVXHAVPMCTFH-UHFFFAOYSA-N
XLogP5.35
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 91496237
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 41077695
N-[3-[1-(6-ethylpyrimidin-4-yl)-3-(4-methylphenyl)indol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 58159674
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
3-morpholin-4-yl-N-[3-(4-oxo-3,5-dihydrothieno[3,4-b][1,4]diazepin-2-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 122521206
3-(4-methylpiperazin-1-yl)-N-[3-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 59804350
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 44583657
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
methyl N-[3-[(4-morpholin-4-ylphenyl)carbamoyl]-5-(trifluoromethyl)phenyl]carbamate
CID 167841855
N-[3-[(E)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
CID 155125696

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (CID 147285112) is N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is CC(=O)C1=NCc2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)ccc21.
What is the InChIKey of N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is CTBVXHAVPMCTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O3/c1-17(35)26-25-6-5-19(11-21(25)16-32-26)18-3-2-4-23(13-18)33-27(36)20-12-22(28(29,30)31)15-24(14-20)34-7-9-37-10-8-34/h2-6,11-15H,7-10,16H2,1H3,(H,33,36).
What are the key properties of N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 507.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 147285112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).