3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one

C168H168Cl4N16O12 — CID 159815994

IUPAC3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one
SMILESCCCC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCCC(=O)c1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CNC(=O)c1cccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3Cl)c3ccccc3)c[nH]c12.CNC(=O)c1cccc2c(C(=O)[C@H](NCCc3ccc(C)cc3Cl)c3ccccc3)c[nH]c12.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3c(C(=O)N(C)C)cccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3c(C(=O)N(C)C)cccc23)c2ccccc2)c(Cl)c1
InChIInChI=1S/2C29H30N2O2.2C28H28ClN3O2.2C27H26ClN3O2/c2*1-3-7-27(32)23-14-15-24-25(19-31-26(24)18-23)29(33)28(22-8-5-4-6-9-22)30-17-16-21-12-10-20(2)11-13-21;2*1-18-12-13-19(24(29)16-18)14-15-30-25(20-8-5-4-6-9-20)27(33)23-17-31-26-21(23)10-7-11-22(26)28(34)32(2)3;2*1-17-11-12-18(23(28)15-17)13-14-30-24(19-7-4-3-5-8-19)26(32)22-16-31-25-20(22)9-6-10-21(25)27(33)29-2/h2*4-6,8-15,18-19,28,30-31H,3,7,16-17H2,1-2H3;2*4-13,16-17,25,30-31H,14-15H2,1-3H3;2*3-12,15-16,24,30-31H,13-14H2,1-2H3,(H,29,33)/t2*28-;2*25-;2*24-/m101010/s1
InChIKeyNLPYNZGJNFPPHS-NKLNUDDOSA-N
MW2745.10 g/mol
LogP34.10
Rot. Bonds52

About 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one

3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one (PubChem CID 159815994) has the molecular formula C168H168Cl4N16O12 and a molecular weight of 2745.10 g/mol. Its IUPAC name is 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one.

Molecular Properties

Compound Name3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one
PubChem CID159815994
Molecular FormulaC168H168Cl4N16O12
Molecular Weight2745.10 g/mol
Exact Mass2741.18
IUPAC Name3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one
SMILESCCCC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCCC(=O)c1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CNC(=O)c1cccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3Cl)c3ccccc3)c[nH]c12.CNC(=O)c1cccc2c(C(=O)[C@H](NCCc3ccc(C)cc3Cl)c3ccccc3)c[nH]c12.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3c(C(=O)N(C)C)cccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3c(C(=O)N(C)C)cccc23)c2ccccc2)c(Cl)c1
InChIInChI=1S/2C29H30N2O2.2C28H28ClN3O2.2C27H26ClN3O2/c2*1-3-7-27(32)23-14-15-24-25(19-31-26(24)18-23)29(33)28(22-8-5-4-6-9-22)30-17-16-21-12-10-20(2)11-13-21;2*1-18-12-13-19(24(29)16-18)14-15-30-25(20-8-5-4-6-9-20)27(33)23-17-31-26-21(23)10-7-11-22(26)28(34)32(2)3;2*1-17-11-12-18(23(28)15-17)13-14-30-24(19-7-4-3-5-8-19)26(32)22-16-31-25-20(22)9-6-10-21(25)27(33)29-2/h2*4-6,8-15,18-19,28,30-31H,3,7,16-17H2,1-2H3;2*4-13,16-17,25,30-31H,14-15H2,1-3H3;2*3-12,15-16,24,30-31H,13-14H2,1-2H3,(H,29,33)/t2*28-;2*25-;2*24-/m101010/s1
InChIKeyNLPYNZGJNFPPHS-NKLNUDDOSA-N
XLogP34.10
TPSA402.30 Ų
H-Bond Donors14
H-Bond Acceptors18
Rotatable Bonds52
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002745.10
LogP ≤ 534.10
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1018

Analyze 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one with MolForge

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Related Compounds

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CID 157743557
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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one?
The IUPAC name of 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one (CID 159815994) is 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one.
What is the SMILES notation for 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one?
The canonical SMILES for 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one is CCCC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCCC(=O)c1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CNC(=O)c1cccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3Cl)c3ccccc3)c[nH]c12.CNC(=O)c1cccc2c(C(=O)[C@H](NCCc3ccc(C)cc3Cl)c3ccccc3)c[nH]c12.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3c(C(=O)N(C)C)cccc23)c2ccccc2)c(Cl)c1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3c(C(=O)N(C)C)cccc23)c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one?
The InChIKey is NLPYNZGJNFPPHS-NKLNUDDOSA-N. The full InChI is InChI=1S/2C29H30N2O2.2C28H28ClN3O2.2C27H26ClN3O2/c2*1-3-7-27(32)23-14-15-24-25(19-31-26(24)18-23)29(33)28(22-8-5-4-6-9-22)30-17-16-21-12-10-20(2)11-13-21;2*1-18-12-13-19(24(29)16-18)14-15-30-25(20-8-5-4-6-9-20)27(33)23-17-31-26-21(23)10-7-11-22(26)28(34)32(2)3;2*1-17-11-12-18(23(28)15-17)13-14-30-24(19-7-4-3-5-8-19)26(32)22-16-31-25-20(22)9-6-10-21(25)27(33)29-2/h2*4-6,8-15,18-19,28,30-31H,3,7,16-17H2,1-2H3;2*4-13,16-17,25,30-31H,14-15H2,1-3H3;2*3-12,15-16,24,30-31H,13-14H2,1-2H3,(H,29,33)/t2*28-;2*25-;2*24-/m101010/s1.
What are the key properties of 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one?
3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one has a molecular weight of 2745.10 g/mol, XLogP of 34.10, 52 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N,N-dimethyl-1H-indole-7-carboxamide;3-[(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;3-[(2S)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-2-phenylacetyl]-N-methyl-1H-indole-7-carboxamide;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one;1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-1-one is sourced from PubChem (CID 159815994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).