N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

C13H17BrFN3O — CID 104977127

IUPACN-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CCN1
InChIInChI=1S/C13H17BrFN3O/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-/m0/s1
InChIKeyFFYPEVOEWVWNBK-VIFPVBQESA-N
MW330.20 g/mol
LogP1.82
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104977127) has the molecular formula C13H17BrFN3O and a molecular weight of 330.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
PubChem CID104977127
Molecular FormulaC13H17BrFN3O
Molecular Weight330.20 g/mol
Exact Mass329.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CCN1
InChIInChI=1S/C13H17BrFN3O/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-/m0/s1
InChIKeyFFYPEVOEWVWNBK-VIFPVBQESA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975668
N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119905456
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721076
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 11940567
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65447509
N-(4-bromo-2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62358331

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide (CID 104977127) is N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide is C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CCN1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is FFYPEVOEWVWNBK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17BrFN3O/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-/m0/s1.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 330.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104977127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).