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

C21H19ClN4O4 — CID 4215147

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H19ClN4O4/c1-30-18-7-6-13(22)9-16(18)24-19(27)11-26-20(28)17(25-21(26)29)8-12-10-23-15-5-3-2-4-14(12)15/h2-7,9-10,17,23H,8,11H2,1H3,(H,24,27)(H,25,29)
InChIKeyJOMUCBRZKFMIRL-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.93
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4215147) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4215147
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H19ClN4O4/c1-30-18-7-6-13(22)9-16(18)24-19(27)11-26-20(28)17(25-21(26)29)8-12-10-23-15-5-3-2-4-14(12)15/h2-7,9-10,17,23H,8,11H2,1H3,(H,24,27)(H,25,29)
InChIKeyJOMUCBRZKFMIRL-UHFFFAOYSA-N
XLogP2.93
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4215147) is N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is JOMUCBRZKFMIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c1-30-18-7-6-13(22)9-16(18)24-19(27)11-26-20(28)17(25-21(26)29)8-12-10-23-15-5-3-2-4-14(12)15/h2-7,9-10,17,23H,8,11H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 426.86 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4215147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).