N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide

C13H11BrN2O2S — CID 4795272

IUPACN'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1ccc(Br)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C13H11BrN2O2S/c14-10-5-3-9(4-6-10)8-12(17)15-16-13(18)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyGYWOXINVAYMFDW-UHFFFAOYSA-N
MW339.21 g/mol
LogP2.51
Rot. Bonds3

About N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide

N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 4795272) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide
PubChem CID4795272
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC NameN'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1ccc(Br)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C13H11BrN2O2S/c14-10-5-3-9(4-6-10)8-12(17)15-16-13(18)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyGYWOXINVAYMFDW-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide (CID 4795272) is N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide is O=C(Cc1ccc(Br)cc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is GYWOXINVAYMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c14-10-5-3-9(4-6-10)8-12(17)15-16-13(18)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 339.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4795272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).