N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

C18H20FNO4 — CID 111479215

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)C2Cc3cccc(F)c3O2)c(C)o1
InChIInChI=1S/C18H20FNO4/c1-10-7-13(11(2)23-10)18(3,22)9-20-17(21)15-8-12-5-4-6-14(19)16(12)24-15/h4-7,15,22H,8-9H2,1-3H3,(H,20,21)
InChIKeyPVFDRWOVIBUOOT-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111479215) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID111479215
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)C2Cc3cccc(F)c3O2)c(C)o1
InChIInChI=1S/C18H20FNO4/c1-10-7-13(11(2)23-10)18(3,22)9-20-17(21)15-8-12-5-4-6-14(19)16(12)24-15/h4-7,15,22H,8-9H2,1-3H3,(H,20,21)
InChIKeyPVFDRWOVIBUOOT-UHFFFAOYSA-N
XLogP2.36
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

7-fluoro-N-(4-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111480596
3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
CID 111478810
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111479018
tert-butyl 7-fluoro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 135394558
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
tert-butyl (2S)-2-[[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 99811346
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
7-fluoro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111566101
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
CID 96567152

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111479215) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1cc(C(C)(O)CNC(=O)C2Cc3cccc(F)c3O2)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PVFDRWOVIBUOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-10-7-13(11(2)23-10)18(3,22)9-20-17(21)15-8-12-5-4-6-14(19)16(12)24-15/h4-7,15,22H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111479215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).