(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone

C12H9ClFNOS — CID 80531689

IUPAC(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCc1c(N)cc(C(=O)c2sccc2Cl)cc1F
InChIInChI=1S/C12H9ClFNOS/c1-6-9(14)4-7(5-10(6)15)11(16)12-8(13)2-3-17-12/h2-5H,15H2,1H3
InChIKeyWJTOSPXAJDPKJR-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.66
Rot. Bonds2

About (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone

(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80531689) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80531689
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCc1c(N)cc(C(=O)c2sccc2Cl)cc1F
InChIInChI=1S/C12H9ClFNOS/c1-6-9(14)4-7(5-10(6)15)11(16)12-8(13)2-3-17-12/h2-5H,15H2,1H3
InChIKeyWJTOSPXAJDPKJR-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'}

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Related Compounds

(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80642043
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 80644952
(5-amino-2-fluoro-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 103298379
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 114244691
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 60861340
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone (CID 80531689) is (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone is Cc1c(N)cc(C(=O)c2sccc2Cl)cc1F.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is WJTOSPXAJDPKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-6-9(14)4-7(5-10(6)15)11(16)12-8(13)2-3-17-12/h2-5H,15H2,1H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
(3-amino-5-fluoro-4-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 (3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80531689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).