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

C20H16ClFN4O3 — CID 4567489

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H16ClFN4O3/c21-14-8-12(5-6-15(14)22)24-18(27)10-26-19(28)17(25-20(26)29)7-11-9-23-16-4-2-1-3-13(11)16/h1-6,8-9,17,23H,7,10H2,(H,24,27)(H,25,29)
InChIKeyUIGVCZNVTQPSPN-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.06
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4567489) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4567489
Molecular FormulaC20H16ClFN4O3
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H16ClFN4O3/c21-14-8-12(5-6-15(14)22)24-18(27)10-26-19(28)17(25-20(26)29)7-11-9-23-16-4-2-1-3-13(11)16/h1-6,8-9,17,23H,7,10H2,(H,24,27)(H,25,29)
InChIKeyUIGVCZNVTQPSPN-UHFFFAOYSA-N
XLogP3.06
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.06
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-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4567489) is N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is UIGVCZNVTQPSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c21-14-8-12(5-6-15(14)22)24-18(27)10-26-19(28)17(25-20(26)29)7-11-9-23-16-4-2-1-3-13(11)16/h1-6,8-9,17,23H,7,10H2,(H,24,27)(H,25,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 414.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4567489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).