5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C119H109Cl2N17O8 — CID 159532143

About 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 159532143) has the molecular formula C119H109Cl2N17O8 and a molecular weight of 1976.20 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 159532143
• Molecular Formula: C119H109Cl2N17O8
• Molecular Weight: 1976.20 g/mol
• Exact Mass: 1973.80
• IUPAC Name: 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: CC(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cccnc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cnccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc2cc(C(=O)NC(C)c3ccccc3)[nH]c2c1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12
• InChI: InChI=1S/C18H15N3O.2C18H18N2O.C17H14Cl2N2O.2C16H15N3O.C16H14N2O2/c1-12(14-5-3-2-4-6-14)20-18(22)17-10-15-9-13(11-19)7-8-16(15)21-17;1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-12-8-9-15-11-17(20-16(15)10-12)18(21)19-13(2)14-6-4-3-5-7-14;1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;1-11(12-6-3-2-4-7-12)18-16(20)14-10-13-8-5-9-17-15(13)19-14;1-11(12-5-3-2-4-6-12)18-16(20)15-9-13-10-17-8-7-14(13)19-15;1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16/h2-10,12,21H,1H3,(H,20,22);2*3-11,13,20H,1-2H3,(H,19,21);2-10,21H,1H3,(H,20,22);2-11H,1H3,(H,17,19)(H,18,20);2-11,19H,1H3,(H,18,20);2-11H,1H3,(H,17,19)/t;;;10-;;;11-/m...0..0/s1
• InChIKey: MDDCRQNNRJHENB-JTTDYRRPSA-N
• XLogP: 25.86
• TPSA: 374.04 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1976.20
LogP ≤ 5	25.86
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 159532143) is 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CC(NC(=O)c1cc2cc(C#N)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cccnc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cnccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc2cc(C(=O)NC(C)c3ccccc3)[nH]c2c1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12.

What is the InChIKey of 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is MDDCRQNNRJHENB-JTTDYRRPSA-N. The full InChI is InChI=1S/C18H15N3O.2C18H18N2O.C17H14Cl2N2O.2C16H15N3O.C16H14N2O2/c1-12(14-5-3-2-4-6-14)20-18(22)17-10-15-9-13(11-19)7-8-16(15)21-17;1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-12-8-9-15-11-17(20-16(15)10-12)18(21)19-13(2)14-6-4-3-5-7-14;1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;1-11(12-6-3-2-4-7-12)18-16(20)14-10-13-8-5-9-17-15(13)19-14;1-11(12-5-3-2-4-6-12)18-16(20)15-9-13-10-17-8-7-14(13)19-15;1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16/h2-10,12,21H,1H3,(H,20,22);2*3-11,13,20H,1-2H3,(H,19,21);2-10,21H,1H3,(H,20,22);2-11H,1H3,(H,17,19)(H,18,20);2-11,19H,1H3,(H,18,20);2-11H,1H3,(H,17,19)/t;;;10-;;;11-/m...0..0/s1.

What are the key properties of 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 1976.20 g/mol, XLogP of 25.86, 21 rotatable bonds, 13 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 159532143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).