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

C18H20BrN3O2 — CID 2124819

IUPACN-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C18H20BrN3O2/c19-14-4-3-5-15(12-14)20-18(24)13-21-8-10-22(11-9-21)16-6-1-2-7-17(16)23/h1-7,12,23H,8-11,13H2,(H,20,24)
InChIKeyJVBCKRQCJYRSBA-UHFFFAOYSA-N
MW390.28 g/mol
LogP2.92
Rot. Bonds4

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

N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2124819) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2124819
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C18H20BrN3O2/c19-14-4-3-5-15(12-14)20-18(24)13-21-8-10-22(11-9-21)16-6-1-2-7-17(16)23/h1-7,12,23H,8-11,13H2,(H,20,24)
InChIKeyJVBCKRQCJYRSBA-UHFFFAOYSA-N
XLogP2.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8528890
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 31628376
2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 46854081
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2124819) is N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccccc2O)CC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is JVBCKRQCJYRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c19-14-4-3-5-15(12-14)20-18(24)13-21-8-10-22(11-9-21)16-6-1-2-7-17(16)23/h1-7,12,23H,8-11,13H2,(H,20,24).
What are the key properties of N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 390.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2124819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).