4-aminobenzamide;4-bromothiophene-2-carbaldehyde

C12H11BrN2O2S — CID 175349931

IUPAC4-aminobenzamide;4-bromothiophene-2-carbaldehyde
SMILESNC(=O)c1ccc(N)cc1.O=Cc1cc(Br)cs1
InChIInChI=1S/C7H8N2O.C5H3BrOS/c8-6-3-1-5(2-4-6)7(9)10;6-4-1-5(2-7)8-3-4/h1-4H,8H2,(H2,9,10);1-3H
InChIKeyQQUHRZMNPGLDIN-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.69
Rot. Bonds2

About 4-aminobenzamide;4-bromothiophene-2-carbaldehyde

4-aminobenzamide;4-bromothiophene-2-carbaldehyde (PubChem CID 175349931) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 4-aminobenzamide;4-bromothiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-aminobenzamide;4-bromothiophene-2-carbaldehyde
PubChem CID175349931
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name4-aminobenzamide;4-bromothiophene-2-carbaldehyde
SMILESNC(=O)c1ccc(N)cc1.O=Cc1cc(Br)cs1
InChIInChI=1S/C7H8N2O.C5H3BrOS/c8-6-3-1-5(2-4-6)7(9)10;6-4-1-5(2-7)8-3-4/h1-4H,8H2,(H2,9,10);1-3H
InChIKeyQQUHRZMNPGLDIN-UHFFFAOYSA-N
XLogP2.69
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzamide;4-bromothiophene-2-carbaldehyde?
The IUPAC name of 4-aminobenzamide;4-bromothiophene-2-carbaldehyde (CID 175349931) is 4-aminobenzamide;4-bromothiophene-2-carbaldehyde.
What is the SMILES notation for 4-aminobenzamide;4-bromothiophene-2-carbaldehyde?
The canonical SMILES for 4-aminobenzamide;4-bromothiophene-2-carbaldehyde is NC(=O)c1ccc(N)cc1.O=Cc1cc(Br)cs1.
What is the InChIKey of 4-aminobenzamide;4-bromothiophene-2-carbaldehyde?
The InChIKey is QQUHRZMNPGLDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C5H3BrOS/c8-6-3-1-5(2-4-6)7(9)10;6-4-1-5(2-7)8-3-4/h1-4H,8H2,(H2,9,10);1-3H.
What are the key properties of 4-aminobenzamide;4-bromothiophene-2-carbaldehyde?
4-aminobenzamide;4-bromothiophene-2-carbaldehyde has a molecular weight of 327.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzamide;4-bromothiophene-2-carbaldehyde is sourced from PubChem (CID 175349931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).