N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide

C24H22BrClN2O4 — CID 17073519

IUPACN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C24H22BrClN2O4/c1-2-21(32-19-11-8-17(9-12-19)16-6-4-3-5-7-16)24(30)28-27-23(29)15-31-22-13-10-18(25)14-20(22)26/h3-14,21H,2,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyOHXYLNFPOMFURB-UHFFFAOYSA-N
MW517.81 g/mol
LogP5.15
Rot. Bonds8

About N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide (PubChem CID 17073519) has the molecular formula C24H22BrClN2O4 and a molecular weight of 517.81 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
PubChem CID17073519
Molecular FormulaC24H22BrClN2O4
Molecular Weight517.81 g/mol
Exact Mass516.05
IUPAC NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C24H22BrClN2O4/c1-2-21(32-19-11-8-17(9-12-19)16-6-4-3-5-7-16)24(30)28-27-23(29)15-31-22-13-10-18(25)14-20(22)26/h3-14,21H,2,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyOHXYLNFPOMFURB-UHFFFAOYSA-N
XLogP5.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.81
LogP ≤ 55.15
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

N'-[2-(4-methoxyphenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073439
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073460
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 4950294
2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide
CID 17150806
(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
CID 4929692
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4632609
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide?
The IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide (CID 17073519) is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide?
The InChIKey is OHXYLNFPOMFURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrClN2O4/c1-2-21(32-19-11-8-17(9-12-19)16-6-4-3-5-7-16)24(30)28-27-23(29)15-31-22-13-10-18(25)14-20(22)26/h3-14,21H,2,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide?
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide has a molecular weight of 517.81 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide is sourced from PubChem (CID 17073519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).