N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide

C21H22BrN3O6 — CID 24981980

IUPACN'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H22BrN3O6/c1-29-18-12-14(20(27)23-24-21(28)15-4-2-3-5-16(15)22)6-7-17(18)31-13-19(26)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyZLYPOFWJLDBBGN-UHFFFAOYSA-N
MW492.33 g/mol
LogP1.77
Rot. Bonds6

About N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide

N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide (PubChem CID 24981980) has the molecular formula C21H22BrN3O6 and a molecular weight of 492.33 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
PubChem CID24981980
Molecular FormulaC21H22BrN3O6
Molecular Weight492.33 g/mol
Exact Mass491.07
IUPAC NameN'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H22BrN3O6/c1-29-18-12-14(20(27)23-24-21(28)15-4-2-3-5-16(15)22)6-7-17(18)31-13-19(26)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyZLYPOFWJLDBBGN-UHFFFAOYSA-N
XLogP1.77
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide 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-Bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 2877867
1-[4-(3,4-Dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 1074752
4-bromo-N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 24409714
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 24819703
N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
CID 25102432
N-(2-bromobenzyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2971401
3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 8007578
3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
CID 24978798
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 24980952
3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 25161847
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzamide
CID 25162715
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 25163242

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide (CID 24981980) is N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
The InChIKey is ZLYPOFWJLDBBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O6/c1-29-18-12-14(20(27)23-24-21(28)15-4-2-3-5-16(15)22)6-7-17(18)31-13-19(26)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide?
N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide has a molecular weight of 492.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide is sourced from PubChem (CID 24981980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).