N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide

C28H24F3N3O4 — CID 171683080

IUPACN-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide
SMILESO=C1Cc2cc(C(=O)N3CCC(c4ccc(NC(=O)c5ccccc5OC(F)(F)F)cc4)CC3)ccc2N1
InChIInChI=1S/C28H24F3N3O4/c29-28(30,31)38-24-4-2-1-3-22(24)26(36)32-21-8-5-17(6-9-21)18-11-13-34(14-12-18)27(37)19-7-10-23-20(15-19)16-25(35)33-23/h1-10,15,18H,11-14,16H2,(H,32,36)(H,33,35)
InChIKeyCGDUMBNFIVMEBV-UHFFFAOYSA-N
MW523.51 g/mol
LogP5.35
Rot. Bonds5

About N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide

N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide (PubChem CID 171683080) has the molecular formula C28H24F3N3O4 and a molecular weight of 523.51 g/mol. Its IUPAC name is N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide
PubChem CID171683080
Molecular FormulaC28H24F3N3O4
Molecular Weight523.51 g/mol
Exact Mass523.17
IUPAC NameN-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide
SMILESO=C1Cc2cc(C(=O)N3CCC(c4ccc(NC(=O)c5ccccc5OC(F)(F)F)cc4)CC3)ccc2N1
InChIInChI=1S/C28H24F3N3O4/c29-28(30,31)38-24-4-2-1-3-22(24)26(36)32-21-8-5-17(6-9-21)18-11-13-34(14-12-18)27(37)19-7-10-23-20(15-19)16-25(35)33-23/h1-10,15,18H,11-14,16H2,(H,32,36)(H,33,35)
InChIKeyCGDUMBNFIVMEBV-UHFFFAOYSA-N
XLogP5.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.51
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyloxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 154838654
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171683593
2-(cyanomethoxy)-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 154837474
N-[(3S,4R)-1-(2,3-dihydro-1H-benzimidazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 135135274
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide
CID 67478861
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
N-[(3S,4R)-1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 134278157
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
N-[4-[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]phenyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171685759

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide (CID 171683080) is N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide is O=C1Cc2cc(C(=O)N3CCC(c4ccc(NC(=O)c5ccccc5OC(F)(F)F)cc4)CC3)ccc2N1.
What is the InChIKey of N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is CGDUMBNFIVMEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O4/c29-28(30,31)38-24-4-2-1-3-22(24)26(36)32-21-8-5-17(6-9-21)18-11-13-34(14-12-18)27(37)19-7-10-23-20(15-19)16-25(35)33-23/h1-10,15,18H,11-14,16H2,(H,32,36)(H,33,35).
What are the key properties of N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide?
N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 523.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 171683080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).