2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide

C15H12FNO2 — CID 140712163

IUPAC2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1COc2ccc(F)cc21
InChIInChI=1S/C15H12FNO2/c16-9-5-6-14-12(7-9)13(8-19-14)10-3-1-2-4-11(10)15(17)18/h1-7,13H,8H2,(H2,17,18)/t13-/m0/s1
InChIKeyNTVZGDIHCHAZJM-ZDUSSCGKSA-N
MW257.26 g/mol
LogP2.45
Rot. Bonds2

About 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide

2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide (PubChem CID 140712163) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide
PubChem CID140712163
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1COc2ccc(F)cc21
InChIInChI=1S/C15H12FNO2/c16-9-5-6-14-12(7-9)13(8-19-14)10-3-1-2-4-11(10)15(17)18/h1-7,13H,8H2,(H2,17,18)/t13-/m0/s1
InChIKeyNTVZGDIHCHAZJM-ZDUSSCGKSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide
CID 140712174
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide
CID 140595706
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide
CID 87092130
[(3S,4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanol
CID 130937445
5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide
CID 43705298
2-(2-oxooxetan-3-yl)-4-phenylbenzamide
CID 91097658
6-fluoro-3,4-dihydro-2H-1,2-benzoxazine-4-carboxamide
CID 68720807
4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
CID 102418336
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide?
The IUPAC name of 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide (CID 140712163) is 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide is NC(=O)c1ccccc1[C@@H]1COc2ccc(F)cc21.
What is the InChIKey of 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide?
The InChIKey is NTVZGDIHCHAZJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-9-5-6-14-12(7-9)13(8-19-14)10-3-1-2-4-11(10)15(17)18/h1-7,13H,8H2,(H2,17,18)/t13-/m0/s1.
What are the key properties of 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide?
2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide has a molecular weight of 257.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 140712163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).