N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide

C16H24BrN3O — CID 64978706

IUPACN-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccccc2Br)C(CC)CN1
InChIInChI=1S/C16H24BrN3O/c1-3-12-10-20(13(4-2)9-18-12)11-16(21)19-15-8-6-5-7-14(15)17/h5-8,12-13,18H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyYPBFCFQVGDJAHF-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.85
Rot. Bonds5

About N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide

N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide (PubChem CID 64978706) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide
PubChem CID64978706
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide
SMILESCCC1CN(CC(=O)Nc2ccccc2Br)C(CC)CN1
InChIInChI=1S/C16H24BrN3O/c1-3-12-10-20(13(4-2)9-18-12)11-16(21)19-15-8-6-5-7-14(15)17/h5-8,12-13,18H,3-4,9-11H2,1-2H3,(H,19,21)
InChIKeyYPBFCFQVGDJAHF-UHFFFAOYSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide
CID 95785992
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-bromophenyl)acetamide
CID 11931200
2-(2,5-diethylpiperazin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 64979190
2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370730
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955
N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 47810584
N-(2-bromophenyl)butanamide
CID 732405
N-(2-bromophenyl)-2-(4-hydroxy-1,2-oxazolidin-2-yl)acetamide
CID 112737177
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
2-(5-ethyl-2-methylmorpholin-4-yl)-N-naphthalen-1-ylacetamide
CID 42889992

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide (CID 64978706) is N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide is CCC1CN(CC(=O)Nc2ccccc2Br)C(CC)CN1.
What is the InChIKey of N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide?
The InChIKey is YPBFCFQVGDJAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-3-12-10-20(13(4-2)9-18-12)11-16(21)19-15-8-6-5-7-14(15)17/h5-8,12-13,18H,3-4,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide?
N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,5-diethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 64978706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).