1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide

C98H80F11N9O11 — CID 158334598

IUPAC1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)c(OC)c1.COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1OC.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
InChIInChI=1S/2C25H22F2N2O3.C24H17F5N2O2.C24H19F2N3O3/c1-31-23-8-3-16(11-24(23)32-2)14-28-25(30)18-5-7-22-17(12-18)9-10-29(22)15-19-4-6-20(26)13-21(19)27;1-31-21-7-4-18(24(13-21)32-2)14-28-25(30)17-5-8-23-16(11-17)9-10-29(23)15-19-3-6-20(26)12-22(19)27;25-19-6-4-18(21(26)12-19)14-31-9-8-16-11-17(5-7-22(16)31)23(32)30-13-15-2-1-3-20(10-15)33-24(27,28)29;1-15(16-3-7-21(8-4-16)29(31)32)27-24(30)18-5-9-23-17(12-18)10-11-28(23)14-19-2-6-20(25)13-22(19)26/h2*3-13H,14-15H2,1-2H3,(H,28,30);1-12H,13-14H2,(H,30,32);2-13,15H,14H2,1H3,(H,27,30)/t;;;15-/m...0/s1
InChIKeyGQKSJZKQEMTVLU-UTLRRHKCSA-N
MW1768.75 g/mol
LogP20.99
Rot. Bonds26

About 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide (PubChem CID 158334598) has the molecular formula C98H80F11N9O11 and a molecular weight of 1768.75 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide
PubChem CID158334598
Molecular FormulaC98H80F11N9O11
Molecular Weight1768.75 g/mol
Exact Mass1767.58
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)c(OC)c1.COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1OC.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
InChIInChI=1S/2C25H22F2N2O3.C24H17F5N2O2.C24H19F2N3O3/c1-31-23-8-3-16(11-24(23)32-2)14-28-25(30)18-5-7-22-17(12-18)9-10-29(22)15-19-4-6-20(26)13-21(19)27;1-31-21-7-4-18(24(13-21)32-2)14-28-25(30)17-5-8-23-16(11-17)9-10-29(23)15-19-3-6-20(26)12-22(19)27;25-19-6-4-18(21(26)12-19)14-31-9-8-16-11-17(5-7-22(16)31)23(32)30-13-15-2-1-3-20(10-15)33-24(27,28)29;1-15(16-3-7-21(8-4-16)29(31)32)27-24(30)18-5-9-23-17(12-18)10-11-28(23)14-19-2-6-20(25)13-22(19)26/h2*3-13H,14-15H2,1-2H3,(H,28,30);1-12H,13-14H2,(H,30,32);2-13,15H,14H2,1H3,(H,27,30)/t;;;15-/m...0/s1
InChIKeyGQKSJZKQEMTVLU-UTLRRHKCSA-N
XLogP20.99
TPSA225.41 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001768.75
LogP ≤ 520.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide (CID 158334598) is 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)c(OC)c1.COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1OC.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide?
The InChIKey is GQKSJZKQEMTVLU-UTLRRHKCSA-N. The full InChI is InChI=1S/2C25H22F2N2O3.C24H17F5N2O2.C24H19F2N3O3/c1-31-23-8-3-16(11-24(23)32-2)14-28-25(30)18-5-7-22-17(12-18)9-10-29(22)15-19-4-6-20(26)13-21(19)27;1-31-21-7-4-18(24(13-21)32-2)14-28-25(30)17-5-8-23-16(11-17)9-10-29(23)15-19-3-6-20(26)12-22(19)27;25-19-6-4-18(21(26)12-19)14-31-9-8-16-11-17(5-7-22(16)31)23(32)30-13-15-2-1-3-20(10-15)33-24(27,28)29;1-15(16-3-7-21(8-4-16)29(31)32)27-24(30)18-5-9-23-17(12-18)10-11-28(23)14-19-2-6-20(25)13-22(19)26/h2*3-13H,14-15H2,1-2H3,(H,28,30);1-12H,13-14H2,(H,30,32);2-13,15H,14H2,1H3,(H,27,30)/t;;;15-/m...0/s1.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide has a molecular weight of 1768.75 g/mol, XLogP of 20.99, 26 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 158334598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).