[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C25H18Cl2N2O4 — CID 16533898

IUPAC[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C25H18Cl2N2O4/c26-16-10-11-18(20(27)12-16)25(32)29-14-22(30)33-24(15-6-2-1-3-7-15)23(31)19-13-28-21-9-5-4-8-17(19)21/h1-13,24,28H,14H2,(H,29,32)
InChIKeyWHJWBBCGUASODV-UHFFFAOYSA-N
MW481.34 g/mol
LogP5.37
Rot. Bonds7

About [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 16533898) has the molecular formula C25H18Cl2N2O4 and a molecular weight of 481.34 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID16533898
Molecular FormulaC25H18Cl2N2O4
Molecular Weight481.34 g/mol
Exact Mass480.06
IUPAC Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C25H18Cl2N2O4/c26-16-10-11-18(20(27)12-16)25(32)29-14-22(30)33-24(15-6-2-1-3-7-15)23(31)19-13-28-21-9-5-4-8-17(19)21/h1-13,24,28H,14H2,(H,29,32)
InChIKeyWHJWBBCGUASODV-UHFFFAOYSA-N
XLogP5.37
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.34
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 5002393
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 2427750
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3282092
(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate
CID 140889277
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
CID 18205599
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877594
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 3388091

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 16533898) is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1Cl)OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is WHJWBBCGUASODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O4/c26-16-10-11-18(20(27)12-16)25(32)29-14-22(30)33-24(15-6-2-1-3-7-15)23(31)19-13-28-21-9-5-4-8-17(19)21/h1-13,24,28H,14H2,(H,29,32).
What are the key properties of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 481.34 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 16533898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).