2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide

C19H17Cl2N3O3 — CID 2813556

IUPAC2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CC1C(=O)NCCN1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H17Cl2N3O3/c20-13-6-7-14(21)15(10-13)23-17(25)11-16-18(26)22-8-9-24(16)19(27)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,22,26)(H,23,25)
InChIKeyBQURJFBRCRREDZ-UHFFFAOYSA-N
MW406.27 g/mol
LogP2.96
Rot. Bonds4

About 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide

2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 2813556) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide
PubChem CID2813556
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CC1C(=O)NCCN1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H17Cl2N3O3/c20-13-6-7-14(21)15(10-13)23-17(25)11-16-18(26)22-8-9-24(16)19(27)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,22,26)(H,23,25)
InChIKeyBQURJFBRCRREDZ-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide (CID 2813556) is 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide is O=C(CC1C(=O)NCCN1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is BQURJFBRCRREDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c20-13-6-7-14(21)15(10-13)23-17(25)11-16-18(26)22-8-9-24(16)19(27)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,22,26)(H,23,25).
What are the key properties of 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide?
2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 406.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-3-oxopiperazin-2-yl)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 2813556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).