N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

C150H143F7N20O10S — CID 158197165

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccnc1.CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccncc1.C[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.C[C@@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1.O=S(=O)(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/2C18H17FN2O.C17H15FN2O.2C17H20N2O.2C16H14FN3O.C16H13FN2O.C15H13FN2O2S/c1-12(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;2*1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16;1-10(11-4-6-18-7-5-11)19-16(21)15-9-12-8-13(17)2-3-14(12)20-15;1-10(11-3-2-6-18-9-11)19-16(21)15-8-12-7-13(17)4-5-14(12)20-15;17-13-6-7-15-12(8-13)9-14(19-15)10-18-16(20)11-4-2-1-3-5-11;16-12-6-7-15-11(8-12)9-13(18-15)10-17-21(19,20)14-4-2-1-3-5-14/h3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);2-11,20H,1H3,(H,19,21);2*2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20);2*2-10,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);1-9,17-18H,10H2/t2*12-;11-;2*12-;;;;/m00010..../s1
InChIKeyGAMBVGPDDMHLDW-ZYDSZAONSA-N
MW2550.98 g/mol
LogP31.22
Rot. Bonds28

About N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (PubChem CID 158197165) has the molecular formula C150H143F7N20O10S and a molecular weight of 2550.98 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
PubChem CID158197165
Molecular FormulaC150H143F7N20O10S
Molecular Weight2550.98 g/mol
Exact Mass2549.09
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccnc1.CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccncc1.C[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.C[C@@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1.O=S(=O)(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/2C18H17FN2O.C17H15FN2O.2C17H20N2O.2C16H14FN3O.C16H13FN2O.C15H13FN2O2S/c1-12(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;2*1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16;1-10(11-4-6-18-7-5-11)19-16(21)15-9-12-8-13(17)2-3-14(12)20-15;1-10(11-3-2-6-18-9-11)19-16(21)15-8-12-7-13(17)4-5-14(12)20-15;17-13-6-7-15-12(8-13)9-14(19-15)10-18-16(20)11-4-2-1-3-5-11;16-12-6-7-15-11(8-12)9-13(18-15)10-17-21(19,20)14-4-2-1-3-5-14/h3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);2-11,20H,1H3,(H,19,21);2*2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20);2*2-10,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);1-9,17-18H,10H2/t2*12-;11-;2*12-;;;;/m00010..../s1
InChIKeyGAMBVGPDDMHLDW-ZYDSZAONSA-N
XLogP31.22
TPSA438.07 Ų
H-Bond Donors17
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002550.98
LogP ≤ 531.22
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (CID 158197165) is N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccnc1.CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccncc1.C[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.C[C@@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1.O=S(=O)(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The InChIKey is GAMBVGPDDMHLDW-ZYDSZAONSA-N. The full InChI is InChI=1S/2C18H17FN2O.C17H15FN2O.2C17H20N2O.2C16H14FN3O.C16H13FN2O.C15H13FN2O2S/c1-12(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;2*1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16;1-10(11-4-6-18-7-5-11)19-16(21)15-9-12-8-13(17)2-3-14(12)20-15;1-10(11-3-2-6-18-9-11)19-16(21)15-8-12-7-13(17)4-5-14(12)20-15;17-13-6-7-15-12(8-13)9-14(19-15)10-18-16(20)11-4-2-1-3-5-11;16-12-6-7-15-11(8-12)9-13(18-15)10-17-21(19,20)14-4-2-1-3-5-14/h3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);2-11,20H,1H3,(H,19,21);2*2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20);2*2-10,20H,1H3,(H,19,21);1-9,19H,10H2,(H,18,20);1-9,17-18H,10H2/t2*12-;11-;2*12-;;;;/m00010..../s1.
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide has a molecular weight of 2550.98 g/mol, XLogP of 31.22, 28 rotatable bonds, 17 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-(1-pyridin-4-ylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 158197165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).