(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H24FNO3 — CID 96541205

IUPAC(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)[C@H]1CCCCO1
InChIInChI=1S/C18H24FNO3/c1-18(2,16-5-3-4-8-22-16)11-20-17(21)15-10-12-9-13(19)6-7-14(12)23-15/h6-7,9,15-16H,3-5,8,10-11H2,1-2H3,(H,20,21)/t15-,16+/m0/s1
InChIKeyXEQFFVACMXQCFG-JKSUJKDBSA-N
MW321.39 g/mol
LogP2.84
Rot. Bonds4

About (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 96541205) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID96541205
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)[C@H]1CCCCO1
InChIInChI=1S/C18H24FNO3/c1-18(2,16-5-3-4-8-22-16)11-20-17(21)15-10-12-9-13(19)6-7-14(12)23-15/h6-7,9,15-16H,3-5,8,10-11H2,1-2H3,(H,20,21)/t15-,16+/m0/s1
InChIKeyXEQFFVACMXQCFG-JKSUJKDBSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111447538
5-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111485862
5-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477277
5-fluoro-N-[2-[(2-phenylacetyl)amino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 75372981
5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111697479
2-(2,2-dimethylpropylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65370400
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide
CID 16766356
(2S)-N-[[(2R,5S)-4-benzoyl-1,4-diazabicyclo[3.2.1]octan-2-yl]methyl]-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 98874891
5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111696357
1-[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 126774314

Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 96541205) is (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)(CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)[C@H]1CCCCO1.
What is the InChIKey of (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is XEQFFVACMXQCFG-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-18(2,16-5-3-4-8-22-16)11-20-17(21)15-10-12-9-13(19)6-7-14(12)23-15/h6-7,9,15-16H,3-5,8,10-11H2,1-2H3,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96541205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).