N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide

C24H23BrN2O4 — CID 4952015

IUPACN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C24H23BrN2O4/c1-16-8-13-22(21(25)14-16)30-15-23(28)26-27-24(29)17(2)31-20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRDGIWGLNNABBDD-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.42
Rot. Bonds7

About N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide

N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide (PubChem CID 4952015) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
PubChem CID4952015
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC NameN'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C24H23BrN2O4/c1-16-8-13-22(21(25)14-16)30-15-23(28)26-27-24(29)17(2)31-20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRDGIWGLNNABBDD-UHFFFAOYSA-N
XLogP4.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
CID 4958704
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940151
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4951968
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944233
N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 2969056
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
CID 40572245
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide (CID 4952015) is N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide is Cc1ccc(OCC(=O)NNC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide?
The InChIKey is RDGIWGLNNABBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-16-8-13-22(21(25)14-16)30-15-23(28)26-27-24(29)17(2)31-20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide?
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide has a molecular weight of 483.36 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide is sourced from PubChem (CID 4952015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).