N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide

C23H24BrN3O3 — CID 41429495

IUPACN-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(Br)cc2C)c2ccccc21
InChIInChI=1S/C23H24BrN3O3/c1-4-26(5-2)21(28)14-27-13-18(17-8-6-7-9-20(17)27)22(29)23(30)25-19-11-10-16(24)12-15(19)3/h6-13H,4-5,14H2,1-3H3,(H,25,30)
InChIKeyIULVZSYRCBYGLA-UHFFFAOYSA-N
MW470.37 g/mol
LogP4.40
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide

N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide (PubChem CID 41429495) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
PubChem CID41429495
Molecular FormulaC23H24BrN3O3
Molecular Weight470.37 g/mol
Exact Mass469.10
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(Br)cc2C)c2ccccc21
InChIInChI=1S/C23H24BrN3O3/c1-4-26(5-2)21(28)14-27-13-18(17-8-6-7-9-20(17)27)22(29)23(30)25-19-11-10-16(24)12-15(19)3/h6-13H,4-5,14H2,1-3H3,(H,25,30)
InChIKeyIULVZSYRCBYGLA-UHFFFAOYSA-N
XLogP4.40
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide 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

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
CID 18562288
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(2-ethoxyphenyl)-2-oxoacetamide
CID 7162284
N-(3-acetamidophenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 16832346
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 4052226
ethyl 4-[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 41429456
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide
CID 41429505
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide
CID 55914201
N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide
CID 18562277
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide (CID 41429495) is N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(Br)cc2C)c2ccccc21.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is IULVZSYRCBYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c1-4-26(5-2)21(28)14-27-13-18(17-8-6-7-9-20(17)27)22(29)23(30)25-19-11-10-16(24)12-15(19)3/h6-13H,4-5,14H2,1-3H3,(H,25,30).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 470.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 41429495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).