2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide

C16H22BrClN4O2 — CID 36894666

IUPAC2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H22BrClN4O2/c1-2-19-15(23)10-21-5-7-22(8-6-21)11-16(24)20-14-4-3-12(17)9-13(14)18/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyNZZBDMHLCYORJE-UHFFFAOYSA-N
MW417.74 g/mol
LogP1.79
Rot. Bonds6

About 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 36894666) has the molecular formula C16H22BrClN4O2 and a molecular weight of 417.74 g/mol. Its IUPAC name is 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID36894666
Molecular FormulaC16H22BrClN4O2
Molecular Weight417.74 g/mol
Exact Mass416.06
IUPAC Name2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H22BrClN4O2/c1-2-19-15(23)10-21-5-7-22(8-6-21)11-16(24)20-14-4-3-12(17)9-13(14)18/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyNZZBDMHLCYORJE-UHFFFAOYSA-N
XLogP1.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.74
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
2-[4-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36888971
N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671
N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55847694
N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
CID 166188233
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide;hydrochloride
CID 119925697
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide (CID 36894666) is 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is NZZBDMHLCYORJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN4O2/c1-2-19-15(23)10-21-5-7-22(8-6-21)11-16(24)20-14-4-3-12(17)9-13(14)18/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 417.74 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 36894666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).