N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide

C25H24BrN3O4 — CID 4216558

IUPACN-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C25H24BrN3O4/c26-18-9-11-19(12-10-18)27-24(31)17-33-23-8-4-1-5-20(23)25(32)29-15-13-28(14-16-29)21-6-2-3-7-22(21)30/h1-12,30H,13-17H2,(H,27,31)
InChIKeyGLLXFESCOWLNSI-UHFFFAOYSA-N
MW510.39 g/mol
LogP4.13
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide

N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 4216558) has the molecular formula C25H24BrN3O4 and a molecular weight of 510.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID4216558
Molecular FormulaC25H24BrN3O4
Molecular Weight510.39 g/mol
Exact Mass509.10
IUPAC NameN-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C25H24BrN3O4/c26-18-9-11-19(12-10-18)27-24(31)17-33-23-8-4-1-5-20(23)25(32)29-15-13-28(14-16-29)21-6-2-3-7-22(21)30/h1-12,30H,13-17H2,(H,27,31)
InChIKeyGLLXFESCOWLNSI-UHFFFAOYSA-N
XLogP4.13
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide 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

N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 112771544
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
CID 35512538
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964
(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 31619065
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
2-(2,4-dimethylphenoxy)-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 979705
2-(4-bromophenoxy)-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 17319395
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387259

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide (CID 4216558) is N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide is O=C(COc1ccccc1C(=O)N1CCN(c2ccccc2O)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is GLLXFESCOWLNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O4/c26-18-9-11-19(12-10-18)27-24(31)17-33-23-8-4-1-5-20(23)25(32)29-15-13-28(14-16-29)21-6-2-3-7-22(21)30/h1-12,30H,13-17H2,(H,27,31).
What are the key properties of N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide?
N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 510.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 4216558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).