N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide

C18H15F2NO2 — CID 121020588

IUPACN-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
SMILESO=C(NCCCc1cc2ccccc2o1)c1c(F)cccc1F
InChIInChI=1S/C18H15F2NO2/c19-14-7-3-8-15(20)17(14)18(22)21-10-4-6-13-11-12-5-1-2-9-16(12)23-13/h1-3,5,7-9,11H,4,6,10H2,(H,21,22)
InChIKeyVGNFHJZTKGLOHY-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.07
Rot. Bonds5

About N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide

N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide (PubChem CID 121020588) has the molecular formula C18H15F2NO2 and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
PubChem CID121020588
Molecular FormulaC18H15F2NO2
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC NameN-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
SMILESO=C(NCCCc1cc2ccccc2o1)c1c(F)cccc1F
InChIInChI=1S/C18H15F2NO2/c19-14-7-3-8-15(20)17(14)18(22)21-10-4-6-13-11-12-5-1-2-9-16(12)23-13/h1-3,5,7-9,11H,4,6,10H2,(H,21,22)
InChIKeyVGNFHJZTKGLOHY-UHFFFAOYSA-N
XLogP4.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
CID 121020585
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
CID 124892455
N-[4-[2-(1-benzofuran-2-yl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955718
N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
CID 139655415
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738
1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121020618
N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
CID 119103412
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
N'-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1-benzofuran-2-yl)propyl]oxamide
CID 119103420
N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
CID 119799114
N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86813146

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide (CID 121020588) is N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide is O=C(NCCCc1cc2ccccc2o1)c1c(F)cccc1F.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide?
The InChIKey is VGNFHJZTKGLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO2/c19-14-7-3-8-15(20)17(14)18(22)21-10-4-6-13-11-12-5-1-2-9-16(12)23-13/h1-3,5,7-9,11H,4,6,10H2,(H,21,22).
What are the key properties of N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide?
N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide has a molecular weight of 315.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide is sourced from PubChem (CID 121020588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).