N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

C18H20BrN3O — CID 980072

IUPACN-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyOJFOUIYCIPZGFG-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.21
Rot. Bonds4

About N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 980072) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID980072
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyOJFOUIYCIPZGFG-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24750191
2-amino-N-(4-bromophenyl)acetamide
CID 871334
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 16195210
N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
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N-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 600180

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 980072) is N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is OJFOUIYCIPZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23).
What are the key properties of N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 374.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 980072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).