N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide

C119H106BrF5N16O17 — CID 157383629

IUPACN-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(F)c2c(C(=O)C(=O)NCC3CCN(C(=O)c4ccccc4)C3)c[nH]c12.O=C(NCC1CCN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)C1)c1ccccc1.O=C(NCC1CCN(C(=O)C(=O)c2cn(C(=O)c3ccccc3)c3cccc(F)c23)C1)c1ccccc1.O=C(NCC1CCN(C(=O)c2ccccc2)C1)C(=O)c1c[nH]c2cccc(F)c12.O=C(NC[C@@H]1CCN(C(=O)C(=O)c2c[nH]c3c(Br)ccc(F)c23)C1)c1ccccc1
InChIInChI=1S/C29H24FN3O4.C24H23FN4O4.C22H19BrFN3O3.2C22H20FN3O3/c30-23-12-7-13-24-25(23)22(18-33(24)28(36)21-10-5-2-6-11-21)26(34)29(37)32-15-14-19(17-32)16-31-27(35)20-8-3-1-4-9-20;1-26-22(31)16-7-8-18(25)19-17(12-27-20(16)19)21(30)23(32)28-11-14-9-10-29(13-14)24(33)15-5-3-2-4-6-15;23-16-6-7-17(24)18-15(11-25-19(16)18)20(28)22(30)27-9-8-13(12-27)10-26-21(29)14-4-2-1-3-5-14;23-17-7-4-8-18-19(17)16(12-24-18)20(27)21(28)25-11-14-9-10-26(13-14)22(29)15-5-2-1-3-6-15;23-17-7-4-8-18-19(17)16(12-24-18)20(27)22(29)26-10-9-14(13-26)11-25-21(28)15-5-2-1-3-6-15/h1-13,18-19H,14-17H2,(H,31,35);2-8,12,14,27H,9-11,13H2,1H3,(H,26,31)(H,28,32);1-7,11,13,25H,8-10,12H2,(H,26,29);2*1-8,12,14,24H,9-11,13H2,(H,25,28)/t;;13-;;/m..0../s1
InChIKeyBLECMVSVWOPZFK-VEKYKZPFSA-N
MW2207.15 g/mol
LogP15.12
Rot. Bonds27

About N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide

N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 157383629) has the molecular formula C119H106BrF5N16O17 and a molecular weight of 2207.15 g/mol. Its IUPAC name is N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID157383629
Molecular FormulaC119H106BrF5N16O17
Molecular Weight2207.15 g/mol
Exact Mass2204.70
IUPAC NameN-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(F)c2c(C(=O)C(=O)NCC3CCN(C(=O)c4ccccc4)C3)c[nH]c12.O=C(NCC1CCN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)C1)c1ccccc1.O=C(NCC1CCN(C(=O)C(=O)c2cn(C(=O)c3ccccc3)c3cccc(F)c23)C1)c1ccccc1.O=C(NCC1CCN(C(=O)c2ccccc2)C1)C(=O)c1c[nH]c2cccc(F)c12.O=C(NC[C@@H]1CCN(C(=O)C(=O)c2c[nH]c3c(Br)ccc(F)c23)C1)c1ccccc1
InChIInChI=1S/C29H24FN3O4.C24H23FN4O4.C22H19BrFN3O3.2C22H20FN3O3/c30-23-12-7-13-24-25(23)22(18-33(24)28(36)21-10-5-2-6-11-21)26(34)29(37)32-15-14-19(17-32)16-31-27(35)20-8-3-1-4-9-20;1-26-22(31)16-7-8-18(25)19-17(12-27-20(16)19)21(30)23(32)28-11-14-9-10-29(13-14)24(33)15-5-3-2-4-6-15;23-16-6-7-17(24)18-15(11-25-19(16)18)20(28)22(30)27-9-8-13(12-27)10-26-21(29)14-4-2-1-3-5-14;23-17-7-4-8-18-19(17)16(12-24-18)20(27)21(28)25-11-14-9-10-26(13-14)22(29)15-5-2-1-3-6-15;23-17-7-4-8-18-19(17)16(12-24-18)20(27)22(29)26-10-9-14(13-26)11-25-21(28)15-5-2-1-3-6-15/h1-13,18-19H,14-17H2,(H,31,35);2-8,12,14,27H,9-11,13H2,1H3,(H,26,31)(H,28,32);1-7,11,13,25H,8-10,12H2,(H,26,29);2*1-8,12,14,24H,9-11,13H2,(H,25,28)/t;;13-;;/m..0../s1
InChIKeyBLECMVSVWOPZFK-VEKYKZPFSA-N
XLogP15.12
TPSA446.66 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002207.15
LogP ≤ 515.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide (CID 157383629) is N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide is CNC(=O)c1ccc(F)c2c(C(=O)C(=O)NCC3CCN(C(=O)c4ccccc4)C3)c[nH]c12.O=C(NCC1CCN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)C1)c1ccccc1.O=C(NCC1CCN(C(=O)C(=O)c2cn(C(=O)c3ccccc3)c3cccc(F)c23)C1)c1ccccc1.O=C(NCC1CCN(C(=O)c2ccccc2)C1)C(=O)c1c[nH]c2cccc(F)c12.O=C(NC[C@@H]1CCN(C(=O)C(=O)c2c[nH]c3c(Br)ccc(F)c23)C1)c1ccccc1.
What is the InChIKey of N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is BLECMVSVWOPZFK-VEKYKZPFSA-N. The full InChI is InChI=1S/C29H24FN3O4.C24H23FN4O4.C22H19BrFN3O3.2C22H20FN3O3/c30-23-12-7-13-24-25(23)22(18-33(24)28(36)21-10-5-2-6-11-21)26(34)29(37)32-15-14-19(17-32)16-31-27(35)20-8-3-1-4-9-20;1-26-22(31)16-7-8-18(25)19-17(12-27-20(16)19)21(30)23(32)28-11-14-9-10-29(13-14)24(33)15-5-3-2-4-6-15;23-16-6-7-17(24)18-15(11-25-19(16)18)20(28)22(30)27-9-8-13(12-27)10-26-21(29)14-4-2-1-3-5-14;23-17-7-4-8-18-19(17)16(12-24-18)20(27)21(28)25-11-14-9-10-26(13-14)22(29)15-5-2-1-3-6-15;23-17-7-4-8-18-19(17)16(12-24-18)20(27)22(29)26-10-9-14(13-26)11-25-21(28)15-5-2-1-3-6-15/h1-13,18-19H,14-17H2,(H,31,35);2-8,12,14,27H,9-11,13H2,1H3,(H,26,31)(H,28,32);1-7,11,13,25H,8-10,12H2,(H,26,29);2*1-8,12,14,24H,9-11,13H2,(H,25,28)/t;;13-;;/m..0../s1.
What are the key properties of N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide?
N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 2207.15 g/mol, XLogP of 15.12, 27 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-benzoyl-4-fluoroindol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;3-[2-[(1-benzoylpyrrolidin-3-yl)methylamino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide;N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4-fluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3S)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 157383629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).