2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone

C26H25ClN2O — CID 139422950

IUPAC2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
SMILESCC[C@@H](CNC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN2O/c1-2-18(19-12-14-21(27)15-13-19)16-29-25(20-8-4-3-5-9-20)26(30)23-17-28-24-11-7-6-10-22(23)24/h3-15,17-18,25,28-29H,2,16H2,1H3/t18-,25?/m0/s1
InChIKeyJPMMURHQOGIGCI-CPFIQGLUSA-N
MW416.95 g/mol
LogP6.53
Rot. Bonds8

About 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone

2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone (PubChem CID 139422950) has the molecular formula C26H25ClN2O and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
PubChem CID139422950
Molecular FormulaC26H25ClN2O
Molecular Weight416.95 g/mol
Exact Mass416.17
IUPAC Name2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
SMILESCC[C@@H](CNC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN2O/c1-2-18(19-12-14-21(27)15-13-19)16-29-25(20-8-4-3-5-9-20)26(30)23-17-28-24-11-7-6-10-22(23)24/h3-15,17-18,25,28-29H,2,16H2,1H3/t18-,25?/m0/s1
InChIKeyJPMMURHQOGIGCI-CPFIQGLUSA-N
XLogP6.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-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-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
(2S)-2-[2-(4-chlorophenyl)propylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
CID 139422885
(2S)-2-[[(2S)-2-(4-chlorophenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
CID 139423133
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethanone
CID 31444734
(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9441385

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone (CID 139422950) is 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone is CC[C@@H](CNC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone?
The InChIKey is JPMMURHQOGIGCI-CPFIQGLUSA-N. The full InChI is InChI=1S/C26H25ClN2O/c1-2-18(19-12-14-21(27)15-13-19)16-29-25(20-8-4-3-5-9-20)26(30)23-17-28-24-11-7-6-10-22(23)24/h3-15,17-18,25,28-29H,2,16H2,1H3/t18-,25?/m0/s1.
What are the key properties of 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone?
2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone has a molecular weight of 416.95 g/mol, XLogP of 6.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 139422950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).