(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone

C146H146Cl4N14O6 — CID 158771518

IUPAC(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1Cl.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1Cl.O=C(c1c[nH]c2ccccc12)[C@@H](NCCN1CCCCC1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/4C25H23ClN2O.2C23H27N3O/c2*1-17-11-12-18(15-22(17)26)13-14-27-24(19-7-3-2-4-8-19)25(29)21-16-28-23-10-6-5-9-20(21)23;2*1-17-11-12-18(22(26)15-17)13-14-27-24(19-7-3-2-4-8-19)25(29)21-16-28-23-10-6-5-9-20(21)23;2*27-23(20-17-25-21-12-6-5-11-19(20)21)22(18-9-3-1-4-10-18)24-13-16-26-14-7-2-8-15-26/h4*2-12,15-16,24,27-28H,13-14H2,1H3;2*1,3-6,9-12,17,22,24-25H,2,7-8,13-16H2/t4*24-;2*22-/m101010/s1
InChIKeyIPXSOZGDJNOIIY-HYHFJENMSA-N
MW2334.68 g/mol
LogP31.88
Rot. Bonds42

About (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone

(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone (PubChem CID 158771518) has the molecular formula C146H146Cl4N14O6 and a molecular weight of 2334.68 g/mol. Its IUPAC name is (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone.

Molecular Properties

Compound Name(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
PubChem CID158771518
Molecular FormulaC146H146Cl4N14O6
Molecular Weight2334.68 g/mol
Exact Mass2331.03
IUPAC Name(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1Cl.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1Cl.O=C(c1c[nH]c2ccccc12)[C@@H](NCCN1CCCCC1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/4C25H23ClN2O.2C23H27N3O/c2*1-17-11-12-18(15-22(17)26)13-14-27-24(19-7-3-2-4-8-19)25(29)21-16-28-23-10-6-5-9-20(21)23;2*1-17-11-12-18(22(26)15-17)13-14-27-24(19-7-3-2-4-8-19)25(29)21-16-28-23-10-6-5-9-20(21)23;2*27-23(20-17-25-21-12-6-5-11-19(20)21)22(18-9-3-1-4-10-18)24-13-16-26-14-7-2-8-15-26/h4*2-12,15-16,24,27-28H,13-14H2,1H3;2*1,3-6,9-12,17,22,24-25H,2,7-8,13-16H2/t4*24-;2*22-/m101010/s1
InChIKeyIPXSOZGDJNOIIY-HYHFJENMSA-N
XLogP31.88
TPSA275.82 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds42
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002334.68
LogP ≤ 531.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Analyze (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone?
The IUPAC name of (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone (CID 158771518) is (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone.
What is the SMILES notation for (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone?
The canonical SMILES for (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone is Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1Cl.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1Cl.O=C(c1c[nH]c2ccccc12)[C@@H](NCCN1CCCCC1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1)c1ccccc1.
What is the InChIKey of (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone?
The InChIKey is IPXSOZGDJNOIIY-HYHFJENMSA-N. The full InChI is InChI=1S/4C25H23ClN2O.2C23H27N3O/c2*1-17-11-12-18(15-22(17)26)13-14-27-24(19-7-3-2-4-8-19)25(29)21-16-28-23-10-6-5-9-20(21)23;2*1-17-11-12-18(22(26)15-17)13-14-27-24(19-7-3-2-4-8-19)25(29)21-16-28-23-10-6-5-9-20(21)23;2*27-23(20-17-25-21-12-6-5-11-19(20)21)22(18-9-3-1-4-10-18)24-13-16-26-14-7-2-8-15-26/h4*2-12,15-16,24,27-28H,13-14H2,1H3;2*1,3-6,9-12,17,22,24-25H,2,7-8,13-16H2/t4*24-;2*22-/m101010/s1.
What are the key properties of (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone?
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone has a molecular weight of 2334.68 g/mol, XLogP of 31.88, 42 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(3-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone is sourced from PubChem (CID 158771518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).