2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide

C20H23FN2O2 — CID 11256362

IUPAC2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc2c(c1)C(Cc1cccc(F)c1)CO2
InChIInChI=1S/C20H23FN2O2/c1-13(20(24)22-2)23-11-15-6-7-19-18(10-15)16(12-25-19)8-14-4-3-5-17(21)9-14/h3-7,9-10,13,16,23H,8,11-12H2,1-2H3,(H,22,24)
InChIKeyMISHZFOSIWMTOM-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.77
Rot. Bonds6

About 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide

2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide (PubChem CID 11256362) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide
PubChem CID11256362
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc2c(c1)C(Cc1cccc(F)c1)CO2
InChIInChI=1S/C20H23FN2O2/c1-13(20(24)22-2)23-11-15-6-7-19-18(10-15)16(12-25-19)8-14-4-3-5-17(21)9-14/h3-7,9-10,13,16,23H,8,11-12H2,1-2H3,(H,22,24)
InChIKeyMISHZFOSIWMTOM-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
propan-2-yl 2-[3-[[5-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl]phenoxy]acetate
CID 158733046
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide
CID 63270938
2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
CID 43123289
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide?
The IUPAC name of 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide (CID 11256362) is 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc2c(c1)C(Cc1cccc(F)c1)CO2.
What is the InChIKey of 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide?
The InChIKey is MISHZFOSIWMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13(20(24)22-2)23-11-15-6-7-19-18(10-15)16(12-25-19)8-14-4-3-5-17(21)9-14/h3-7,9-10,13,16,23H,8,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide?
2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide has a molecular weight of 342.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 11256362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).