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

C15H11BrFNO2S — CID 32776364

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Br)s2)oc2ccc(F)cc12
InChIInChI=1S/C15H11BrFNO2S/c1-8-11-6-9(17)2-4-12(11)20-14(8)15(19)18-7-10-3-5-13(16)21-10/h2-6H,7H2,1H3,(H,18,19)
InChIKeyDDFPKAXKGDOKFM-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.63
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 32776364) has the molecular formula C15H11BrFNO2S and a molecular weight of 368.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID32776364
Molecular FormulaC15H11BrFNO2S
Molecular Weight368.23 g/mol
Exact Mass366.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Br)s2)oc2ccc(F)cc12
InChIInChI=1S/C15H11BrFNO2S/c1-8-11-6-9(17)2-4-12(11)20-14(8)15(19)18-7-10-3-5-13(16)21-10/h2-6H,7H2,1H3,(H,18,19)
InChIKeyDDFPKAXKGDOKFM-UHFFFAOYSA-N
XLogP4.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 32776364) is N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccc(Br)s2)oc2ccc(F)cc12.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DDFPKAXKGDOKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2S/c1-8-11-6-9(17)2-4-12(11)20-14(8)15(19)18-7-10-3-5-13(16)21-10/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 368.23 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 32776364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).