N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide

C13H15BrClN3O3 — CID 107434312

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H15BrClN3O3/c1-2-21-12-8(14)3-7(15)4-9(12)18-13(20)10-5-17-11(19)6-16-10/h3-4,10,16H,2,5-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyRNDOQVQIFRHDLJ-UHFFFAOYSA-N
MW376.64 g/mol
LogP1.53
Rot. Bonds4

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434312) has the molecular formula C13H15BrClN3O3 and a molecular weight of 376.64 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434312
Molecular FormulaC13H15BrClN3O3
Molecular Weight376.64 g/mol
Exact Mass375.00
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H15BrClN3O3/c1-2-21-12-8(14)3-7(15)4-9(12)18-13(20)10-5-17-11(19)6-16-10/h3-4,10,16H,2,5-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyRNDOQVQIFRHDLJ-UHFFFAOYSA-N
XLogP1.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide (CID 107434312) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide is CCOc1c(Br)cc(Cl)cc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is RNDOQVQIFRHDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O3/c1-2-21-12-8(14)3-7(15)4-9(12)18-13(20)10-5-17-11(19)6-16-10/h3-4,10,16H,2,5-6H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 376.64 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).