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

C25H23ClN2O — CID 158771521

IUPAC(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1
InChIInChI=1S/C25H23ClN2O/c1-17-11-12-18(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/h2-12,15-16,24,27-28H,13-14H2,1H3/t24-/m1/s1
InChIKeyBMJVRTYHGMNQBN-XMMPIXPASA-N
MW402.93 g/mol
LogP5.89
Rot. Bonds7

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

(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone (PubChem CID 158771521) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
PubChem CID158771521
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1
InChIInChI=1S/C25H23ClN2O/c1-17-11-12-18(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/h2-12,15-16,24,27-28H,13-14H2,1H3/t24-/m1/s1
InChIKeyBMJVRTYHGMNQBN-XMMPIXPASA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
(2R)-1-(7-chloro-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 161062434
4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 139422932
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
CID 139422871
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone
CID 139422935
2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 139422950
N-[(2R)-2-hydroxypropyl]-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide
CID 160969332
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523
(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)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone (CID 158771521) is (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone is Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(Cl)c1.
What is the InChIKey of (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone?
The InChIKey is BMJVRTYHGMNQBN-XMMPIXPASA-N. The full InChI is InChI=1S/C25H23ClN2O/c1-17-11-12-18(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/h2-12,15-16,24,27-28H,13-14H2,1H3/t24-/m1/s1.
What are the key properties of (2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone?
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-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)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 158771521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).