(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone

C12H9ClFNOS — CID 103298379

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCc1cc(N)cc(C(=O)c2sccc2Cl)c1F
InChIInChI=1S/C12H9ClFNOS/c1-6-4-7(15)5-8(10(6)14)11(16)12-9(13)2-3-17-12/h2-5H,15H2,1H3
InChIKeyQOBSLBGEFZGODI-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.66
Rot. Bonds2

About (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone

(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 103298379) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID103298379
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCc1cc(N)cc(C(=O)c2sccc2Cl)c1F
InChIInChI=1S/C12H9ClFNOS/c1-6-4-7(15)5-8(10(6)14)11(16)12-9(13)2-3-17-12/h2-5H,15H2,1H3
InChIKeyQOBSLBGEFZGODI-UHFFFAOYSA-N
XLogP3.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone 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 (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone (CID 103298379) is (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone is Cc1cc(N)cc(C(=O)c2sccc2Cl)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is QOBSLBGEFZGODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-6-4-7(15)5-8(10(6)14)11(16)12-9(13)2-3-17-12/h2-5H,15H2,1H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 103298379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).