N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide

C15H10F3NO2 — CID 110751620

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
SMILESO=C(NC1COc2ccccc21)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F3NO2/c16-10-6-5-9(13(17)14(10)18)15(20)19-11-7-21-12-4-2-1-3-8(11)12/h1-6,11H,7H2,(H,19,20)
InChIKeyBJFCBNZSNNWIFG-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.97
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide

N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide (PubChem CID 110751620) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
PubChem CID110751620
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
SMILESO=C(NC1COc2ccccc21)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F3NO2/c16-10-6-5-9(13(17)14(10)18)15(20)19-11-7-21-12-4-2-1-3-8(11)12/h1-6,11H,7H2,(H,19,20)
InChIKeyBJFCBNZSNNWIFG-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030521
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
CID 103707167
4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
CID 62071970
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 94840101

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide (CID 110751620) is N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide is O=C(NC1COc2ccccc21)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide?
The InChIKey is BJFCBNZSNNWIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-10-6-5-9(13(17)14(10)18)15(20)19-11-7-21-12-4-2-1-3-8(11)12/h1-6,11H,7H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide has a molecular weight of 293.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110751620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).