7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide

C14H9BrClNO2S — CID 46460415

IUPAC7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H9BrClNO2S/c15-10-3-1-2-8-6-11(19-13(8)10)14(18)17-7-9-4-5-12(16)20-9/h1-6H,7H2,(H,17,18)
InChIKeyLIWSZXCNVGLKRH-UHFFFAOYSA-N
MW370.66 g/mol
LogP4.84
Rot. Bonds3

About 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide

7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 46460415) has the molecular formula C14H9BrClNO2S and a molecular weight of 370.66 g/mol. Its IUPAC name is 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID46460415
Molecular FormulaC14H9BrClNO2S
Molecular Weight370.66 g/mol
Exact Mass368.92
IUPAC Name7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H9BrClNO2S/c15-10-3-1-2-8-6-11(19-13(8)10)14(18)17-7-9-4-5-12(16)20-9/h1-6H,7H2,(H,17,18)
InChIKeyLIWSZXCNVGLKRH-UHFFFAOYSA-N
XLogP4.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.66
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519034
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
2-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79457540
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 46460415) is 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccc(Cl)s1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is LIWSZXCNVGLKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO2S/c15-10-3-1-2-8-6-11(19-13(8)10)14(18)17-7-9-4-5-12(16)20-9/h1-6H,7H2,(H,17,18).
What are the key properties of 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 370.66 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46460415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).