5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide

C16H12FNO2 — CID 78843203

IUPAC5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C16H12FNO2/c1-10-3-2-4-13(7-10)18-16(19)15-9-11-8-12(17)5-6-14(11)20-15/h2-9H,1H3,(H,18,19)
InChIKeyXHBZOWFBDHHRIR-UHFFFAOYSA-N
MW269.28 g/mol
LogP4.13
Rot. Bonds2

About 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide

5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 78843203) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID78843203
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C16H12FNO2/c1-10-3-2-4-13(7-10)18-16(19)15-9-11-8-12(17)5-6-14(11)20-15/h2-9H,1H3,(H,18,19)
InChIKeyXHBZOWFBDHHRIR-UHFFFAOYSA-N
XLogP4.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103789878
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one
CID 105132388
5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55782296
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide (CID 78843203) is 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is XHBZOWFBDHHRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-10-3-2-4-13(7-10)18-16(19)15-9-11-8-12(17)5-6-14(11)20-15/h2-9H,1H3,(H,18,19).
What are the key properties of 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78843203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).