N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide

C17H17BrN2O3 — CID 2382990

IUPACN'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(OC)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-14(18)10-13)19-20-17(21)11-23-16-8-6-15(22-2)7-9-16/h3-10,19H,1,11H2,2H3,(H,20,21)
InChIKeyNXHJAJPGLBWXCF-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.13
Rot. Bonds7

About N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide

N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide (PubChem CID 2382990) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide
PubChem CID2382990
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(OC)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-14(18)10-13)19-20-17(21)11-23-16-8-6-15(22-2)7-9-16/h3-10,19H,1,11H2,2H3,(H,20,21)
InChIKeyNXHJAJPGLBWXCF-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.13
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-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 7921241
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 4090907
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
2-(4-cyanophenoxy)-N'-[1-[3-(trifluoromethyl)phenyl]ethenyl]acetohydrazide
CID 2383224
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide?
The IUPAC name of N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide (CID 2382990) is N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide is C=C(NNC(=O)COc1ccc(OC)cc1)c1cccc(Br)c1.
What is the InChIKey of N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide?
The InChIKey is NXHJAJPGLBWXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-12(13-4-3-5-14(18)10-13)19-20-17(21)11-23-16-8-6-15(22-2)7-9-16/h3-10,19H,1,11H2,2H3,(H,20,21).
What are the key properties of N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide?
N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide has a molecular weight of 377.24 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 2382990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).