2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide

C15H19BrN2O3S — CID 8763584

IUPAC2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)CSC1CCCC1
InChIInChI=1S/C15H19BrN2O3S/c16-11-5-7-12(8-6-11)21-9-14(19)17-18-15(20)10-22-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,19)(H,18,20)
InChIKeyJJXYADNAOWJNSP-UHFFFAOYSA-N
MW387.30 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide

2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide (PubChem CID 8763584) has the molecular formula C15H19BrN2O3S and a molecular weight of 387.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide
PubChem CID8763584
Molecular FormulaC15H19BrN2O3S
Molecular Weight387.30 g/mol
Exact Mass386.03
IUPAC Name2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)CSC1CCCC1
InChIInChI=1S/C15H19BrN2O3S/c16-11-5-7-12(8-6-11)21-9-14(19)17-18-15(20)10-22-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,19)(H,18,20)
InChIKeyJJXYADNAOWJNSP-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 52.65
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

2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N'-[2-(4-bromophenoxy)acetyl]acetohydrazide
CID 11932389
trans-(1R,2R)-2-[[[2-(4-bromophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 1049136
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64913623
2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798457
[[2-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 9324387
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 24687232
2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
CID 171154743
[3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-dimethylazanium
CID 9417596
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide?
The IUPAC name of 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide (CID 8763584) is 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide.
What is the SMILES notation for 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide?
The canonical SMILES for 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide is O=C(COc1ccc(Br)cc1)NNC(=O)CSC1CCCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide?
The InChIKey is JJXYADNAOWJNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3S/c16-11-5-7-12(8-6-11)21-9-14(19)17-18-15(20)10-22-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide?
2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide has a molecular weight of 387.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide is sourced from PubChem (CID 8763584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).