N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide

C19H26FN3O2 — CID 119782993

IUPACN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c20-15-4-2-14(3-5-15)19(25)22-9-1-8-21-18(24)12-13-10-16-6-7-17(11-13)23-16/h2-5,13,16-17,23H,1,6-12H2,(H,21,24)(H,22,25)
InChIKeyBFAMEVFHPLXWII-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.98
Rot. Bonds7

About N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide

N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide (PubChem CID 119782993) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide
PubChem CID119782993
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c20-15-4-2-14(3-5-15)19(25)22-9-1-8-21-18(24)12-13-10-16-6-7-17(11-13)23-16/h2-5,13,16-17,23H,1,6-12H2,(H,21,24)(H,22,25)
InChIKeyBFAMEVFHPLXWII-UHFFFAOYSA-N
XLogP1.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
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 N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide (CID 119782993) is N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide is O=C(CC1CC2CCC(C1)N2)NCCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide?
The InChIKey is BFAMEVFHPLXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-15-4-2-14(3-5-15)19(25)22-9-1-8-21-18(24)12-13-10-16-6-7-17(11-13)23-16/h2-5,13,16-17,23H,1,6-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide?
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide has a molecular weight of 347.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide is sourced from PubChem (CID 119782993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).