N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide

C23H23ClN4O3 — CID 78802980

IUPACN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CNC1=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C23H23ClN4O3/c24-19-8-3-1-6-15(19)17(18-12-25-20-9-4-2-7-16(18)20)13-26-21(29)10-5-11-28-22(30)14-27-23(28)31/h1-4,6-9,12,17,25H,5,10-11,13-14H2,(H,26,29)(H,27,31)
InChIKeyVJSJXKDTZXAPJK-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.40
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 78802980) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID78802980
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CNC1=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C23H23ClN4O3/c24-19-8-3-1-6-15(19)17(18-12-25-20-9-4-2-7-16(18)20)13-26-21(29)10-5-11-28-22(30)14-27-23(28)31/h1-4,6-9,12,17,25H,5,10-11,13-14H2,(H,26,29)(H,27,31)
InChIKeyVJSJXKDTZXAPJK-UHFFFAOYSA-N
XLogP3.40
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 46520082
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
tert-butyl N-[4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutyl]carbamate
CID 55405860
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998716
N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24503109
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9425337
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 134028769
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 46972382
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35680929

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide (CID 78802980) is N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide is O=C(CCCN1C(=O)CNC1=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is VJSJXKDTZXAPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-19-8-3-1-6-15(19)17(18-12-25-20-9-4-2-7-16(18)20)13-26-21(29)10-5-11-28-22(30)14-27-23(28)31/h1-4,6-9,12,17,25H,5,10-11,13-14H2,(H,26,29)(H,27,31).
What are the key properties of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 438.92 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 78802980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).