N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide

C14H20BrN3O3 — CID 78807447

IUPACN'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide
SMILESCCN(CC)CC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O3/c1-3-18(4-2)9-13(19)16-17-14(20)10-21-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZWSULIPSLLYBJQ-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.32
Rot. Bonds7

About N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide

N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide (PubChem CID 78807447) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide
PubChem CID78807447
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide
SMILESCCN(CC)CC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O3/c1-3-18(4-2)9-13(19)16-17-14(20)10-21-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZWSULIPSLLYBJQ-UHFFFAOYSA-N
XLogP1.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.32
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-bromophenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17357887
[3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-dimethylazanium
CID 9417596
[[2-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8710940
ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 3488463
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate
CID 7868379
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide (CID 78807447) is N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide is CCN(CC)CC(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide?
The InChIKey is ZWSULIPSLLYBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-3-18(4-2)9-13(19)16-17-14(20)10-21-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide has a molecular weight of 358.24 g/mol, XLogP of 1.32, 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]-2-(diethylamino)acetohydrazide is sourced from PubChem (CID 78807447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).