N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C16H13BrFNO2S — CID 24617922

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(Br)s2)oc2ccc(F)cc12
InChIInChI=1S/C16H13BrFNO2S/c1-9-12-8-10(18)2-4-13(12)21-15(9)16(20)19-7-6-11-3-5-14(17)22-11/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyACBFSFIIDKJUFS-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.68
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24617922) has the molecular formula C16H13BrFNO2S and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24617922
Molecular FormulaC16H13BrFNO2S
Molecular Weight382.25 g/mol
Exact Mass380.98
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(Br)s2)oc2ccc(F)cc12
InChIInChI=1S/C16H13BrFNO2S/c1-9-12-8-10(18)2-4-13(12)21-15(9)16(20)19-7-6-11-3-5-14(17)22-11/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyACBFSFIIDKJUFS-UHFFFAOYSA-N
XLogP4.68
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 24617922) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2ccc(Br)s2)oc2ccc(F)cc12.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ACBFSFIIDKJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2S/c1-9-12-8-10(18)2-4-13(12)21-15(9)16(20)19-7-6-11-3-5-14(17)22-11/h2-5,8H,6-7H2,1H3,(H,19,20).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24617922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).