N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide

C14H18BrN3O3 — CID 108522875

IUPACN-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1cccc(Br)c1)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H18BrN3O3/c15-11-2-1-3-12(10-11)16-13(20)14(21)18-6-4-17(5-7-18)8-9-19/h1-3,10,19H,4-9H2,(H,16,20)
InChIKeyZXPVRBDDTSVYKX-UHFFFAOYSA-N
MW356.22 g/mol
LogP0.52
Rot. Bonds3

About N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide

N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108522875) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108522875
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC NameN-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1cccc(Br)c1)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H18BrN3O3/c15-11-2-1-3-12(10-11)16-13(20)14(21)18-6-4-17(5-7-18)8-9-19/h1-3,10,19H,4-9H2,(H,16,20)
InChIKeyZXPVRBDDTSVYKX-UHFFFAOYSA-N
XLogP0.52
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515651
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
N-(3-bromophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 108986017
5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 78888913
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 108512226
(Z)-2-[4-(2-aminoethyl)piperazine-1-carbonyl]-3-(3-bromoanilino)prop-2-enenitrile
CID 108864082
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 108522906
N-(3-bromophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 110019309
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide (CID 108522875) is N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide is O=C(Nc1cccc(Br)c1)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is ZXPVRBDDTSVYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c15-11-2-1-3-12(10-11)16-13(20)14(21)18-6-4-17(5-7-18)8-9-19/h1-3,10,19H,4-9H2,(H,16,20).
What are the key properties of N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 356.22 g/mol, XLogP of 0.52, 3 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-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108522875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).