N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C20H16Cl2N4O3 — CID 3971559

IUPACN-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H16Cl2N4O3/c21-13-5-3-7-15(18(13)22)24-17(27)10-26-19(28)16(25-20(26)29)8-11-9-23-14-6-2-1-4-12(11)14/h1-7,9,16,23H,8,10H2,(H,24,27)(H,25,29)
InChIKeyIRUSMDONORUTNX-UHFFFAOYSA-N
MW431.28 g/mol
LogP3.58
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3971559) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID3971559
Molecular FormulaC20H16Cl2N4O3
Molecular Weight431.28 g/mol
Exact Mass430.06
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H16Cl2N4O3/c21-13-5-3-7-15(18(13)22)24-17(27)10-26-19(28)16(25-20(26)29)8-11-9-23-14-6-2-1-4-12(11)14/h1-7,9,16,23H,8,10H2,(H,24,27)(H,25,29)
InChIKeyIRUSMDONORUTNX-UHFFFAOYSA-N
XLogP3.58
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3971559) is N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is IRUSMDONORUTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c21-13-5-3-7-15(18(13)22)24-17(27)10-26-19(28)16(25-20(26)29)8-11-9-23-14-6-2-1-4-12(11)14/h1-7,9,16,23H,8,10H2,(H,24,27)(H,25,29).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 431.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3971559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).