4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline

C11H8BrClFNS — CID 28574719

IUPAC4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCc1ccc(Cl)s1
InChIInChI=1S/C11H8BrClFNS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2
InChIKeyWOWLFOVGDAAZOI-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.92
Rot. Bonds3

About 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline

4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline (PubChem CID 28574719) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline
PubChem CID28574719
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCc1ccc(Cl)s1
InChIInChI=1S/C11H8BrClFNS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2
InChIKeyWOWLFOVGDAAZOI-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline (CID 28574719) is 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline is Fc1cc(Br)ccc1NCc1ccc(Cl)s1.
What is the InChIKey of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline?
The InChIKey is WOWLFOVGDAAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2.
What are the key properties of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline?
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline has a molecular weight of 320.61 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 28574719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).