N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C15H11F2NO2 — CID 47160884

IUPACN-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H11F2NO2/c16-11-2-3-13(12(17)8-11)18-15(19)10-1-4-14-9(7-10)5-6-20-14/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyAYQPJBJTIYZHFR-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.15
Rot. Bonds2

About N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 47160884) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID47160884
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC NameN-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H11F2NO2/c16-11-2-3-13(12(17)8-11)18-15(19)10-1-4-14-9(7-10)5-6-20-14/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyAYQPJBJTIYZHFR-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
CID 43171735
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763750
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26364276
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103479981
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55582875
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 47160884) is N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is AYQPJBJTIYZHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-11-2-3-13(12(17)8-11)18-15(19)10-1-4-14-9(7-10)5-6-20-14/h1-4,7-8H,5-6H2,(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 275.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 47160884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).