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

C146H140Cl2N14O6 — CID 160974964

IUPAC(2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane
SMILESC.C.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1ccccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1cccnc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCc1ccccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCc1cccnc1)c1ccccc1
InChIInChI=1S/2C25H23ClN2O.2C24H22N2O.2C23H21N3O.2CH4/c2*1-17-10-12-18(13-11-17)14-15-27-24(19-6-3-2-4-7-19)25(29)20-16-28-22-9-5-8-21(26)23(20)22;2*27-24(21-17-26-22-14-8-7-13-20(21)22)23(19-11-5-2-6-12-19)25-16-15-18-9-3-1-4-10-18;2*27-23(20-16-26-21-11-5-4-10-19(20)21)22(18-8-2-1-3-9-18)25-14-12-17-7-6-13-24-15-17;;/h2*2-13,16,24,27-28H,14-15H2,1H3;2*1-14,17,23,25-26H,15-16H2;2*1-11,13,15-16,22,25-26H,12,14H2;2*1H4/t2*24-;2*23-;2*22-;;/m101010../s1
InChIKeySYSVEIXQLZCUHY-MEBGHUIESA-N
MW2257.72 g/mol
LogP31.53
Rot. Bonds42

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

(2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane (PubChem CID 160974964) has the molecular formula C146H140Cl2N14O6 and a molecular weight of 2257.72 g/mol. Its IUPAC name is (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane.

Molecular Properties

Compound Name(2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane
PubChem CID160974964
Molecular FormulaC146H140Cl2N14O6
Molecular Weight2257.72 g/mol
Exact Mass2255.05
IUPAC Name(2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane
SMILESC.C.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1ccccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1cccnc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCc1ccccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCc1cccnc1)c1ccccc1
InChIInChI=1S/2C25H23ClN2O.2C24H22N2O.2C23H21N3O.2CH4/c2*1-17-10-12-18(13-11-17)14-15-27-24(19-6-3-2-4-7-19)25(29)20-16-28-22-9-5-8-21(26)23(20)22;2*27-24(21-17-26-22-14-8-7-13-20(21)22)23(19-11-5-2-6-12-19)25-16-15-18-9-3-1-4-10-18;2*27-23(20-16-26-21-11-5-4-10-19(20)21)22(18-8-2-1-3-9-18)25-14-12-17-7-6-13-24-15-17;;/h2*2-13,16,24,27-28H,14-15H2,1H3;2*1-14,17,23,25-26H,15-16H2;2*1-11,13,15-16,22,25-26H,12,14H2;2*1H4/t2*24-;2*23-;2*22-;;/m101010../s1
InChIKeySYSVEIXQLZCUHY-MEBGHUIESA-N
XLogP31.53
TPSA295.12 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds42
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002257.72
LogP ≤ 531.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane?
The IUPAC name of (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane (CID 160974964) is (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane.
What is the SMILES notation for (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane?
The canonical SMILES for (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane is C.C.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cccc(Cl)c23)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1ccccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1cccnc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCc1ccccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCc1cccnc1)c1ccccc1.
What is the InChIKey of (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane?
The InChIKey is SYSVEIXQLZCUHY-MEBGHUIESA-N. The full InChI is InChI=1S/2C25H23ClN2O.2C24H22N2O.2C23H21N3O.2CH4/c2*1-17-10-12-18(13-11-17)14-15-27-24(19-6-3-2-4-7-19)25(29)20-16-28-22-9-5-8-21(26)23(20)22;2*27-24(21-17-26-22-14-8-7-13-20(21)22)23(19-11-5-2-6-12-19)25-16-15-18-9-3-1-4-10-18;2*27-23(20-16-26-21-11-5-4-10-19(20)21)22(18-8-2-1-3-9-18)25-14-12-17-7-6-13-24-15-17;;/h2*2-13,16,24,27-28H,14-15H2,1H3;2*1-14,17,23,25-26H,15-16H2;2*1-11,13,15-16,22,25-26H,12,14H2;2*1H4/t2*24-;2*23-;2*22-;;/m101010../s1.
What are the key properties of (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane?
(2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane has a molecular weight of 2257.72 g/mol, XLogP of 31.53, 42 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(4-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-phenylethylamino)ethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone;methane is sourced from PubChem (CID 160974964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).