N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide

C11H5BrCl2FNOS — CID 113255459

IUPACN-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5BrCl2FNOS/c12-7-2-1-5(15)3-8(7)16-11(17)6-4-9(13)18-10(6)14/h1-4H,(H,16,17)
InChIKeyIEKUMEWFPTWQQN-UHFFFAOYSA-N
MW369.04 g/mol
LogP5.21
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 113255459) has the molecular formula C11H5BrCl2FNOS and a molecular weight of 369.04 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID113255459
Molecular FormulaC11H5BrCl2FNOS
Molecular Weight369.04 g/mol
Exact Mass366.86
IUPAC NameN-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5BrCl2FNOS/c12-7-2-1-5(15)3-8(7)16-11(17)6-4-9(13)18-10(6)14/h1-4H,(H,16,17)
InChIKeyIEKUMEWFPTWQQN-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.04
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107965275
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
N-(2-bromo-5-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 103753432
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide (CID 113255459) is N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide is O=C(Nc1cc(F)ccc1Br)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is IEKUMEWFPTWQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2FNOS/c12-7-2-1-5(15)3-8(7)16-11(17)6-4-9(13)18-10(6)14/h1-4H,(H,16,17).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide?
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 369.04 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 113255459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).