N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide

C12H8BrF2NO2S — CID 113330149

IUPACN-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H8BrF2NO2S/c1-18-10-2-3-19-11(10)12(17)16-9-5-7(14)6(13)4-8(9)15/h2-5H,1H3,(H,16,17)
InChIKeyWJFBUWQDKYWHHK-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.05
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide

N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide (PubChem CID 113330149) has the molecular formula C12H8BrF2NO2S and a molecular weight of 348.17 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
PubChem CID113330149
Molecular FormulaC12H8BrF2NO2S
Molecular Weight348.17 g/mol
Exact Mass346.94
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H8BrF2NO2S/c1-18-10-2-3-19-11(10)12(17)16-9-5-7(14)6(13)4-8(9)15/h2-5H,1H3,(H,16,17)
InChIKeyWJFBUWQDKYWHHK-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 47231630
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
CID 81119012
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
CID 81003488
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
3-methoxy-N-(2-methoxy-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 71983286
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 103714210
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide (CID 113330149) is N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is WJFBUWQDKYWHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2S/c1-18-10-2-3-19-11(10)12(17)16-9-5-7(14)6(13)4-8(9)15/h2-5H,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 348.17 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 113330149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).