(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone

C12H8Br2FNOS — CID 103298331

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
SMILESCc1cc(N)cc(C(=O)c2cc(Br)sc2Br)c1F
InChIInChI=1S/C12H8Br2FNOS/c1-5-2-6(16)3-7(10(5)15)11(17)8-4-9(13)18-12(8)14/h2-4H,16H2,1H3
InChIKeyFFJVBWGKEJYHDX-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.53
Rot. Bonds2

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

(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 103298331) has the molecular formula C12H8Br2FNOS and a molecular weight of 393.08 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
PubChem CID103298331
Molecular FormulaC12H8Br2FNOS
Molecular Weight393.08 g/mol
Exact Mass390.87
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
SMILESCc1cc(N)cc(C(=O)c2cc(Br)sc2Br)c1F
InChIInChI=1S/C12H8Br2FNOS/c1-5-2-6(16)3-7(10(5)15)11(17)8-4-9(13)18-12(8)14/h2-4H,16H2,1H3
InChIKeyFFJVBWGKEJYHDX-UHFFFAOYSA-N
XLogP4.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.53
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)-(2,5-dibromothiophen-3-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

Related Compounds

(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959498
(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 114021061
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 103298335
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 103298347
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(4-bromothiophen-2-yl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297900
(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 103298379

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone (CID 103298331) is (5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone is Cc1cc(N)cc(C(=O)c2cc(Br)sc2Br)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is FFJVBWGKEJYHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNOS/c1-5-2-6(16)3-7(10(5)15)11(17)8-4-9(13)18-12(8)14/h2-4H,16H2,1H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 393.08 g/mol, XLogP of 4.53, 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)-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 103298331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).