5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide

C13H8BrFN2OS — CID 55190908

IUPAC5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(Br)s2)c(F)c1
InChIInChI=1S/C13H8BrFN2OS/c14-12-4-3-11(19-12)13(18)17-7-9-2-1-8(6-16)5-10(9)15/h1-5H,7H2,(H,17,18)
InChIKeyRQDULNWTHQIJRF-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.45
Rot. Bonds3

About 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide

5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 55190908) has the molecular formula C13H8BrFN2OS and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID55190908
Molecular FormulaC13H8BrFN2OS
Molecular Weight339.19 g/mol
Exact Mass337.95
IUPAC Name5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(Br)s2)c(F)c1
InChIInChI=1S/C13H8BrFN2OS/c14-12-4-3-11(19-12)13(18)17-7-9-2-1-8(6-16)5-10(9)15/h1-5H,7H2,(H,17,18)
InChIKeyRQDULNWTHQIJRF-UHFFFAOYSA-N
XLogP3.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359737
2-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-5-methylbenzamide
CID 80999969
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 60705604
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-[(4-cyano-2-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 63359657
N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
CID 86893384
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide (CID 55190908) is 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide is N#Cc1ccc(CNC(=O)c2ccc(Br)s2)c(F)c1.
What is the InChIKey of 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is RQDULNWTHQIJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2OS/c14-12-4-3-11(19-12)13(18)17-7-9-2-1-8(6-16)5-10(9)15/h1-5H,7H2,(H,17,18).
What are the key properties of 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55190908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).