(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone

C25H23ClN2O — CID 161062434

IUPAC(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2)cc1
InChIInChI=1S/C25H23ClN2O/c1-17-10-12-18(13-11-17)14-15-27-23(19-6-3-2-4-7-19)25(29)21-16-28-24-20(21)8-5-9-22(24)26/h2-13,16,23,27-28H,14-15H2,1H3/t23-/m1/s1
InChIKeyRXJABBBOCIPSBX-HSZRJFAPSA-N
MW402.93 g/mol
LogP5.89
Rot. Bonds7

About (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone

(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone (PubChem CID 161062434) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
PubChem CID161062434
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2)cc1
InChIInChI=1S/C25H23ClN2O/c1-17-10-12-18(13-11-17)14-15-27-23(19-6-3-2-4-7-19)25(29)21-16-28-24-20(21)8-5-9-22(24)26/h2-13,16,23,27-28H,14-15H2,1H3/t23-/m1/s1
InChIKeyRXJABBBOCIPSBX-HSZRJFAPSA-N
XLogP5.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-ethyl-1H-indol-3-yl)-2-[(4-methylphenyl)methylamino]-2-phenylethanone
CID 4851610
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
(2S)-1-[7-fluoro-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 159379881
N-[(2R)-2-hydroxypropyl]-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide
CID 160969332
4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 139422932
2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939
3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-6-carboxamide
CID 158666863
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone
CID 139422935
N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
CID 4826075
1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one
CID 159421118
(2R)-1-[6-(1-ethylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 159919528

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The IUPAC name of (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone (CID 161062434) is (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone.
What is the SMILES notation for (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The canonical SMILES for (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone is Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3c(Cl)cccc23)c2ccccc2)cc1.
What is the InChIKey of (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The InChIKey is RXJABBBOCIPSBX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H23ClN2O/c1-17-10-12-18(13-11-17)14-15-27-23(19-6-3-2-4-7-19)25(29)21-16-28-24-20(21)8-5-9-22(24)26/h2-13,16,23,27-28H,14-15H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone has a molecular weight of 402.93 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone is sourced from PubChem (CID 161062434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).