N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

C18H19BrClN3O — CID 985716

IUPACN-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrClN3O/c19-14-4-6-16(7-5-14)21-18(24)13-22-8-10-23(11-9-22)17-3-1-2-15(20)12-17/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeySAEMEJXJPBESQO-UHFFFAOYSA-N
MW408.73 g/mol
LogP3.86
Rot. Bonds4

About N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 985716) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID985716
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC NameN-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrClN3O/c19-14-4-6-16(7-5-14)21-18(24)13-22-8-10-23(11-9-22)17-3-1-2-15(20)12-17/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeySAEMEJXJPBESQO-UHFFFAOYSA-N
XLogP3.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905882
2-[4-(3-Chlorophenyl)piperazin-1-yl]acetamide
CID 895427
N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 600179
N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 991645
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 970465
N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 2538951
2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 2699189
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 3239543
N-(4-bromophenyl)-2-(4-cyclohexylpiperazin-1-yl)acetamide;hydrochloride
CID 16192981
2-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)acetamide
CID 856024

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (CID 985716) is N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is SAEMEJXJPBESQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O/c19-14-4-6-16(7-5-14)21-18(24)13-22-8-10-23(11-9-22)17-3-1-2-15(20)12-17/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 408.73 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 985716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).