N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide

C13H17BrN2O4 — CID 17357887

IUPACN'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide
SMILESCCOCCC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O4/c1-2-19-8-7-12(17)15-16-13(18)9-20-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyLEHNYNAOPULLCZ-UHFFFAOYSA-N
MW345.19 g/mol
LogP1.40
Rot. Bonds7

About N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide

N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide (PubChem CID 17357887) has the molecular formula C13H17BrN2O4 and a molecular weight of 345.19 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide
PubChem CID17357887
Molecular FormulaC13H17BrN2O4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide
SMILESCCOCCC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O4/c1-2-19-8-7-12(17)15-16-13(18)9-20-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyLEHNYNAOPULLCZ-UHFFFAOYSA-N
XLogP1.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 17357896
[3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-dimethylazanium
CID 9417596
N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide
CID 78807447
N'-[2-(4-bromophenoxy)acetyl]-3-(2-fluorophenoxy)propanehydrazide
CID 78775232
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123164
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
CID 55242073
ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
4-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17112720
[[2-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide (CID 17357887) is N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide is CCOCCC(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide?
The InChIKey is LEHNYNAOPULLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4/c1-2-19-8-7-12(17)15-16-13(18)9-20-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide?
N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide has a molecular weight of 345.19 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide is sourced from PubChem (CID 17357887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).