2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide

C17H16BrClN2O2 — CID 4280299

IUPAC2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(C)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O2/c1-11-3-8-16(15(18)9-11)23-10-17(22)21-20-12(2)13-4-6-14(19)7-5-13/h3-9,20H,2,10H2,1H3,(H,21,22)
InChIKeyRZCZWEHVHWVKNI-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.08
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide

2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide (PubChem CID 4280299) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide
PubChem CID4280299
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(C)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O2/c1-11-3-8-16(15(18)9-11)23-10-17(22)21-20-12(2)13-4-6-14(19)7-5-13/h3-9,20H,2,10H2,1H3,(H,21,22)
InChIKeyRZCZWEHVHWVKNI-UHFFFAOYSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
CID 4280300
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide
CID 4280301
2-(4-bromo-2-chlorophenoxy)-N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3289773
2-(2-bromo-4-methylphenoxy)-N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4504422
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide (CID 4280299) is 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide is C=C(NNC(=O)COc1ccc(C)cc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide?
The InChIKey is RZCZWEHVHWVKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11-3-8-16(15(18)9-11)23-10-17(22)21-20-12(2)13-4-6-14(19)7-5-13/h3-9,20H,2,10H2,1H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide?
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide has a molecular weight of 395.68 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide is sourced from PubChem (CID 4280299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).