N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide

C15H10F2N2OS — CID 81115919

IUPACN-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H10F2N2OS/c16-9-3-4-12(11(18)6-9)19-15(20)14-5-8-1-2-10(17)7-13(8)21-14/h1-7H,18H2,(H,19,20)
InChIKeyCMLUYEDDZHVFBW-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.01
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide

N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 81115919) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID81115919
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC NameN-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H10F2N2OS/c16-9-3-4-12(11(18)6-9)19-15(20)14-5-8-1-2-10(17)7-13(8)21-14/h1-7H,18H2,(H,19,20)
InChIKeyCMLUYEDDZHVFBW-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
N-[2-(bromomethyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 114309702
N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105063
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
N-(2-amino-4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269223
N-(2-amino-2-sulfanylideneethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104448
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 25492339
N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 80502021
N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 142723853
N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115627252

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 81115919) is N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide is Nc1cc(F)ccc1NC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is CMLUYEDDZHVFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-9-3-4-12(11(18)6-9)19-15(20)14-5-8-1-2-10(17)7-13(8)21-14/h1-7H,18H2,(H,19,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81115919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).