2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide

C13H10Br2FNOS — CID 113237232

IUPAC2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)sc1Br)c1ccc(F)cc1
InChIInChI=1S/C13H10Br2FNOS/c1-7(8-2-4-9(16)5-3-8)17-13(18)10-6-11(14)19-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyZBFCNXBVNBSNAU-UHFFFAOYSA-N
MW407.10 g/mol
LogP4.90
Rot. Bonds3

About 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide

2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide (PubChem CID 113237232) has the molecular formula C13H10Br2FNOS and a molecular weight of 407.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
PubChem CID113237232
Molecular FormulaC13H10Br2FNOS
Molecular Weight407.10 g/mol
Exact Mass404.88
IUPAC Name2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)sc1Br)c1ccc(F)cc1
InChIInChI=1S/C13H10Br2FNOS/c1-7(8-2-4-9(16)5-3-8)17-13(18)10-6-11(14)19-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyZBFCNXBVNBSNAU-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.10
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-3-carboxamide
CID 107962299
N-[1-(3-aminophenyl)ethyl]-2,5-dibromothiophene-3-carboxamide
CID 107959305
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide
CID 107966027
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide (CID 113237232) is 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide is CC(NC(=O)c1cc(Br)sc1Br)c1ccc(F)cc1.
What is the InChIKey of 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is ZBFCNXBVNBSNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNOS/c1-7(8-2-4-9(16)5-3-8)17-13(18)10-6-11(14)19-12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide?
2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 407.10 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 113237232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).