N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

C16H22BrN3O2 — CID 113178154

IUPACN-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H22BrN3O2/c1-12-10-14(4-5-15(12)17)20(13(2)21)11-16(22)19-8-6-18(3)7-9-19/h4-5,10H,6-9,11H2,1-3H3
InChIKeyDWFCEVJLZXIAGL-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.88
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113178154) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113178154
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC NameN-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H22BrN3O2/c1-12-10-14(4-5-15(12)17)20(13(2)21)11-16(22)19-8-6-18(3)7-9-19/h4-5,10H,6-9,11H2,1-3H3
InChIKeyDWFCEVJLZXIAGL-UHFFFAOYSA-N
XLogP1.88
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178156
N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178178
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173034
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113174831
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 113169937
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175895
methyl 4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 113176365
ethyl 4-[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113172220
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)acetamide
CID 113168278
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113178152
N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113178154) is N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is DWFCEVJLZXIAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-12-10-14(4-5-15(12)17)20(13(2)21)11-16(22)19-8-6-18(3)7-9-19/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 368.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113178154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).