2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide

C22H23FN2O2 — CID 91328705

IUPAC2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide
SMILESCC(C(N)=O)N(CCc1cccc(-c2cccc(F)c2)c1)Cc1ccco1
InChIInChI=1S/C22H23FN2O2/c1-16(22(24)26)25(15-21-9-4-12-27-21)11-10-17-5-2-6-18(13-17)19-7-3-8-20(23)14-19/h2-9,12-14,16H,10-11,15H2,1H3,(H2,24,26)
InChIKeyAINXTPOUVSYJCB-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.00
Rot. Bonds8

About 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide

2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide (PubChem CID 91328705) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide
PubChem CID91328705
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide
SMILESCC(C(N)=O)N(CCc1cccc(-c2cccc(F)c2)c1)Cc1ccco1
InChIInChI=1S/C22H23FN2O2/c1-16(22(24)26)25(15-21-9-4-12-27-21)11-10-17-5-2-6-18(13-17)19-7-3-8-20(23)14-19/h2-9,12-14,16H,10-11,15H2,1H3,(H2,24,26)
InChIKeyAINXTPOUVSYJCB-UHFFFAOYSA-N
XLogP4.00
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide?
The IUPAC name of 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide (CID 91328705) is 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide?
The canonical SMILES for 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide is CC(C(N)=O)N(CCc1cccc(-c2cccc(F)c2)c1)Cc1ccco1.
What is the InChIKey of 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide?
The InChIKey is AINXTPOUVSYJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-16(22(24)26)25(15-21-9-4-12-27-21)11-10-17-5-2-6-18(13-17)19-7-3-8-20(23)14-19/h2-9,12-14,16H,10-11,15H2,1H3,(H2,24,26).
What are the key properties of 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide?
2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide has a molecular weight of 366.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-fluorophenyl)phenyl]ethyl-(furan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 91328705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).