(2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide

C20H20BrN3O5 — CID 2463000

IUPAC(2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide
SMILESCOc1ccc(N2C(=O)C[C@@H](NNC(=O)[C@@H](C)Oc3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C20H20BrN3O5/c1-12(29-16-5-3-4-13(21)10-16)19(26)23-22-17-11-18(25)24(20(17)27)14-6-8-15(28-2)9-7-14/h3-10,12,17,22H,11H2,1-2H3,(H,23,26)/t12-,17-/m1/s1
InChIKeyYWFLXPDJWSVJRH-SJKOYZFVSA-N
MW462.30 g/mol
LogP2.18
Rot. Bonds7

About (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide

(2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide (PubChem CID 2463000) has the molecular formula C20H20BrN3O5 and a molecular weight of 462.30 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide
PubChem CID2463000
Molecular FormulaC20H20BrN3O5
Molecular Weight462.30 g/mol
Exact Mass461.06
IUPAC Name(2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide
SMILESCOc1ccc(N2C(=O)C[C@@H](NNC(=O)[C@@H](C)Oc3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C20H20BrN3O5/c1-12(29-16-5-3-4-13(21)10-16)19(26)23-22-17-11-18(25)24(20(17)27)14-6-8-15(28-2)9-7-14/h3-10,12,17,22H,11H2,1-2H3,(H,23,26)/t12-,17-/m1/s1
InChIKeyYWFLXPDJWSVJRH-SJKOYZFVSA-N
XLogP2.18
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide 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

3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
tert-butyl N-[[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 92542330
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838
N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
CID 1120045
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
CID 1120071
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
CID 4077280
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
3-[(2-hydroxy-2-phenylethyl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4558033

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide (CID 2463000) is (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide is COc1ccc(N2C(=O)C[C@@H](NNC(=O)[C@@H](C)Oc3cccc(Br)c3)C2=O)cc1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide?
The InChIKey is YWFLXPDJWSVJRH-SJKOYZFVSA-N. The full InChI is InChI=1S/C20H20BrN3O5/c1-12(29-16-5-3-4-13(21)10-16)19(26)23-22-17-11-18(25)24(20(17)27)14-6-8-15(28-2)9-7-14/h3-10,12,17,22H,11H2,1-2H3,(H,23,26)/t12-,17-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide?
(2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide has a molecular weight of 462.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide is sourced from PubChem (CID 2463000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).