N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C15H10BrFN2OS — CID 3240274

IUPACN-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1sccc1-n1cccc1
InChIInChI=1S/C15H10BrFN2OS/c16-10-3-4-12(11(17)9-10)18-15(20)14-13(5-8-21-14)19-6-1-2-7-19/h1-9H,(H,18,20)
InChIKeyMKXQZGCRTNDUKF-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.69
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 3240274) has the molecular formula C15H10BrFN2OS and a molecular weight of 365.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID3240274
Molecular FormulaC15H10BrFN2OS
Molecular Weight365.23 g/mol
Exact Mass363.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1sccc1-n1cccc1
InChIInChI=1S/C15H10BrFN2OS/c16-10-3-4-12(11(17)9-10)18-15(20)14-13(5-8-21-14)19-6-1-2-7-19/h1-9H,(H,18,20)
InChIKeyMKXQZGCRTNDUKF-UHFFFAOYSA-N
XLogP4.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 3240274) is N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is O=C(Nc1ccc(Br)cc1F)c1sccc1-n1cccc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is MKXQZGCRTNDUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2OS/c16-10-3-4-12(11(17)9-10)18-15(20)14-13(5-8-21-14)19-6-1-2-7-19/h1-9H,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 4.69, 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-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 3240274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).