3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide

C15H21FN2O2 — CID 66365277

IUPAC3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H21FN2O2/c1-2-6-18-15(19)5-7-17-10-13-9-11-8-12(16)3-4-14(11)20-13/h3-4,8,13,17H,2,5-7,9-10H2,1H3,(H,18,19)
InChIKeyOFBDCAPCMYQPIT-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.64
Rot. Bonds7

About 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide

3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide (PubChem CID 66365277) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide
PubChem CID66365277
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H21FN2O2/c1-2-6-18-15(19)5-7-17-10-13-9-11-8-12(16)3-4-14(11)20-13/h3-4,8,13,17H,2,5-7,9-10H2,1H3,(H,18,19)
InChIKeyOFBDCAPCMYQPIT-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide (CID 66365277) is 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is OFBDCAPCMYQPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-6-18-15(19)5-7-17-10-13-9-11-8-12(16)3-4-14(11)20-13/h3-4,8,13,17H,2,5-7,9-10H2,1H3,(H,18,19).
What are the key properties of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide?
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 280.34 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 66365277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).