5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

C156H141Cl4F5N18O9 — CID 158029633

IUPAC5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2n1C)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)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)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12
InChIInChI=1S/3C18H17FN2O.4C17H15ClN2O.2C17H15FN2O/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;1-12(13-6-4-3-5-7-13)20-18(22)17-11-14-10-15(19)8-9-16(14)21(17)2;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;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16;1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16/h3-12,20H,1-2H3;3-12H,1-2H3,(H,20,22);3-10,12,21H,1-2H3,(H,20,22);6*2-11,20H,1H3,(H,19,21)/t3*12-;6*11-/m010101000/s1
InChIKeyFHAHCLWLBBZVMK-CQONNKEDSA-N
MW2648.76 g/mol
LogP36.90
Rot. Bonds27

About 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 158029633) has the molecular formula C156H141Cl4F5N18O9 and a molecular weight of 2648.76 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID158029633
Molecular FormulaC156H141Cl4F5N18O9
Molecular Weight2648.76 g/mol
Exact Mass2644.98
IUPAC Name5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2n1C)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)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)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12
InChIInChI=1S/3C18H17FN2O.4C17H15ClN2O.2C17H15FN2O/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;1-12(13-6-4-3-5-7-13)20-18(22)17-11-14-10-15(19)8-9-16(14)21(17)2;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;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16;1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16/h3-12,20H,1-2H3;3-12H,1-2H3,(H,20,22);3-10,12,21H,1-2H3,(H,20,22);6*2-11,20H,1H3,(H,19,21)/t3*12-;6*11-/m010101000/s1
InChIKeyFHAHCLWLBBZVMK-CQONNKEDSA-N
XLogP36.90
TPSA384.36 Ų
H-Bond Donors16
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002648.76
LogP ≤ 536.90
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (CID 158029633) is 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2n1C)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)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)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is FHAHCLWLBBZVMK-CQONNKEDSA-N. The full InChI is InChI=1S/3C18H17FN2O.4C17H15ClN2O.2C17H15FN2O/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;1-12(13-6-4-3-5-7-13)20-18(22)17-11-14-10-15(19)8-9-16(14)21(17)2;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;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16;1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16/h3-12,20H,1-2H3;3-12H,1-2H3,(H,20,22);3-10,12,21H,1-2H3,(H,20,22);6*2-11,20H,1H3,(H,19,21)/t3*12-;6*11-/m010101000/s1.
What are the key properties of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 2648.76 g/mol, XLogP of 36.90, 27 rotatable bonds, 16 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;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;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158029633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).