N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide

C20H20ClN3O4 — CID 167997454

IUPACN-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2Cl)C(=O)C1=O
InChIInChI=1S/C20H20ClN3O4/c1-2-28-17-10-6-5-9-16(17)24-12-11-23(19(26)20(24)27)13-18(25)22-15-8-4-3-7-14(15)21/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyYCWCCJCQRNIULG-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.55
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide (PubChem CID 167997454) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide
PubChem CID167997454
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC NameN-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2Cl)C(=O)C1=O
InChIInChI=1S/C20H20ClN3O4/c1-2-28-17-10-6-5-9-16(17)24-12-11-23(19(26)20(24)27)13-18(25)22-15-8-4-3-7-14(15)21/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyYCWCCJCQRNIULG-UHFFFAOYSA-N
XLogP2.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.55
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-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 86345330
N-(2-chloro-4-fluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703627
N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47532727
(2S)-N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430279
(3R)-N-(3-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456585
2-[4-(2,5-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 163391607
N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide
CID 167997554
(3S)-N-(2,5-dichlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260559
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885855
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide (CID 167997454) is N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide is CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2Cl)C(=O)C1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide?
The InChIKey is YCWCCJCQRNIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-2-28-17-10-6-5-9-16(17)24-12-11-23(19(26)20(24)27)13-18(25)22-15-8-4-3-7-14(15)21/h3-10H,2,11-13H2,1H3,(H,22,25).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide has a molecular weight of 401.85 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 167997454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).