N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide

C13H11BrN2O3S — CID 35933556

IUPACN'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
SMILESO=C(COc1cccc(Br)c1)NNC(=O)c1cccs1
InChIInChI=1S/C13H11BrN2O3S/c14-9-3-1-4-10(7-9)19-8-12(17)15-16-13(18)11-5-2-6-20-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyLZPHXWGHVDPODB-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.35
Rot. Bonds4

About N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide

N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide (PubChem CID 35933556) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
PubChem CID35933556
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC NameN'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
SMILESO=C(COc1cccc(Br)c1)NNC(=O)c1cccs1
InChIInChI=1S/C13H11BrN2O3S/c14-9-3-1-4-10(7-9)19-8-12(17)15-16-13(18)11-5-2-6-20-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyLZPHXWGHVDPODB-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.35
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-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7601232
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
CID 3876775
2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170277
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479375
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 7921241
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-bromo-2-hydroxybenzoate
CID 25102395
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide
CID 17435498
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide (CID 35933556) is N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide is O=C(COc1cccc(Br)c1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide?
The InChIKey is LZPHXWGHVDPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-9-3-1-4-10(7-9)19-8-12(17)15-16-13(18)11-5-2-6-20-11/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide?
N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide has a molecular weight of 355.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 35933556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).