N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C13H17Br2N3O — CID 104975668

IUPACN-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2Br)CCN1
InChIInChI=1S/C13H17Br2N3O/c1-9-7-18(5-4-16-9)8-13(19)17-12-3-2-10(14)6-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyGIVNQBPICUMOAJ-SECBINFHSA-N
MW391.11 g/mol
LogP2.44
Rot. Bonds3

About N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975668) has the molecular formula C13H17Br2N3O and a molecular weight of 391.11 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975668
Molecular FormulaC13H17Br2N3O
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC NameN-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2Br)CCN1
InChIInChI=1S/C13H17Br2N3O/c1-9-7-18(5-4-16-9)8-13(19)17-12-3-2-10(14)6-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyGIVNQBPICUMOAJ-SECBINFHSA-N
XLogP2.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.11
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104977127
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917994
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65447509
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(4-bromo-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898013

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975668) is N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2Br)CCN1.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is GIVNQBPICUMOAJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17Br2N3O/c1-9-7-18(5-4-16-9)8-13(19)17-12-3-2-10(14)6-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m1/s1.
What are the key properties of N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 391.11 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).