N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide

C14H19BrClN3O — CID 6469594

IUPACN-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C14H19BrClN3O/c1-2-18-5-7-19(8-6-18)10-14(20)17-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8,10H2,1H3,(H,17,20)
InChIKeyKQTCFOMIMLHAEB-UHFFFAOYSA-N
MW360.68 g/mol
LogP2.68
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide

N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 6469594) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID6469594
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C14H19BrClN3O/c1-2-18-5-7-19(8-6-18)10-14(20)17-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8,10H2,1H3,(H,17,20)
InChIKeyKQTCFOMIMLHAEB-UHFFFAOYSA-N
XLogP2.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36894666
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
N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55847694
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide (CID 6469594) is N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is KQTCFOMIMLHAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O/c1-2-18-5-7-19(8-6-18)10-14(20)17-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8,10H2,1H3,(H,17,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 360.68 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6469594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).