N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide

C11H7Cl2FN2OS — CID 107959517

IUPACN-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESNc1cccc(F)c1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2FN2OS/c12-8-4-5(10(13)18-8)11(17)16-9-6(14)2-1-3-7(9)15/h1-4H,15H2,(H,16,17)
InChIKeyPRSVSUHLBGAQQY-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.03
Rot. Bonds2

About N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide

N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107959517) has the molecular formula C11H7Cl2FN2OS and a molecular weight of 305.16 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107959517
Molecular FormulaC11H7Cl2FN2OS
Molecular Weight305.16 g/mol
Exact Mass303.96
IUPAC NameN-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESNc1cccc(F)c1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2FN2OS/c12-8-4-5(10(13)18-8)11(17)16-9-6(14)2-1-3-7(9)15/h1-4H,15H2,(H,16,17)
InChIKeyPRSVSUHLBGAQQY-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.03
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-6-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81314667
N-(2-amino-6-fluorophenyl)-2-bromo-4-chlorobenzamide
CID 107986345
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 81315197
3-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 115930652
N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113228330
N-(2-amino-6-fluorophenyl)-2-ethoxybenzamide
CID 81313737
N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
CID 81314531
3-amino-2-bromo-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596264
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959506

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide (CID 107959517) is N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide is Nc1cccc(F)c1NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is PRSVSUHLBGAQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2OS/c12-8-4-5(10(13)18-8)11(17)16-9-6(14)2-1-3-7(9)15/h1-4H,15H2,(H,16,17).
What are the key properties of N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide?
N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 305.16 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107959517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).