N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide

C16H13F2NO2 — CID 110787075

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2NO2/c17-13-3-2-12(8-14(13)18)16(20)19-9-10-1-4-15-11(7-10)5-6-21-15/h1-4,7-8H,5-6,9H2,(H,19,20)
InChIKeyPUBLOGCKNDSVLP-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.83
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide (PubChem CID 110787075) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
PubChem CID110787075
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2NO2/c17-13-3-2-12(8-14(13)18)16(20)19-9-10-1-4-15-11(7-10)5-6-21-15/h1-4,7-8H,5-6,9H2,(H,19,20)
InChIKeyPUBLOGCKNDSVLP-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
CID 90557903
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55694577
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide (CID 110787075) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide is O=C(NCc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide?
The InChIKey is PUBLOGCKNDSVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-13-3-2-12(8-14(13)18)16(20)19-9-10-1-4-15-11(7-10)5-6-21-15/h1-4,7-8H,5-6,9H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide has a molecular weight of 289.28 g/mol, XLogP of 2.83, 3 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-5-ylmethyl)-3,4-difluorobenzamide is sourced from PubChem (CID 110787075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).