4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

C23H21BrN2O5 — CID 27568544

IUPAC4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc(OC)c1Br
InChIInChI=1S/C23H21BrN2O5/c1-29-19-12-16(13-20(30-2)22(19)24)23(28)26-25-21(27)14-31-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyASVFURMPAFMVTG-UHFFFAOYSA-N
MW485.33 g/mol
LogP3.97
Rot. Bonds7

About 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 27568544) has the molecular formula C23H21BrN2O5 and a molecular weight of 485.33 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
PubChem CID27568544
Molecular FormulaC23H21BrN2O5
Molecular Weight485.33 g/mol
Exact Mass484.06
IUPAC Name4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc(OC)c1Br
InChIInChI=1S/C23H21BrN2O5/c1-29-19-12-16(13-20(30-2)22(19)24)23(28)26-25-21(27)14-31-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyASVFURMPAFMVTG-UHFFFAOYSA-N
XLogP3.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]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

1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17094335
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
3-(2-methoxyphenyl)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 9470380
N-cyclopropyl-2-methoxy-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55377531
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 47839265

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (CID 27568544) is 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is COc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is ASVFURMPAFMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O5/c1-29-19-12-16(13-20(30-2)22(19)24)23(28)26-25-21(27)14-31-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 485.33 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 27568544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).