N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide

C23H24ClN3O3 — CID 4052226

IUPACN-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H24ClN3O3/c1-3-26(4-2)21(28)15-27-14-18(17-10-6-8-12-20(17)27)22(29)23(30)25-13-16-9-5-7-11-19(16)24/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,30)
InChIKeyIUNRPXUMSMGTDB-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.66
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide

N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide (PubChem CID 4052226) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
PubChem CID4052226
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H24ClN3O3/c1-3-26(4-2)21(28)15-27-14-18(17-10-6-8-12-20(17)27)22(29)23(30)25-13-16-9-5-7-11-19(16)24/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,30)
InChIKeyIUNRPXUMSMGTDB-UHFFFAOYSA-N
XLogP3.66
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563392
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
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
CID 18562288
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-(2-ethoxyphenyl)-2-oxoacetamide
CID 7162284
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
N-(4-bromo-2-methylphenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 41429495
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
ethyl 4-[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 41429456
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
CID 41429515

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide (CID 4052226) is N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccccc2Cl)c2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is IUNRPXUMSMGTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-3-26(4-2)21(28)15-27-14-18(17-10-6-8-12-20(17)27)22(29)23(30)25-13-16-9-5-7-11-19(16)24/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 425.92 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 4052226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).