N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide

C21H26FN3O — CID 119033860

IUPACN-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)C2CCN(Cc3ccccc3)C2)ccc1F
InChIInChI=1S/C21H26FN3O/c1-15(23-19-8-9-20(22)21(12-19)24-16(2)26)18-10-11-25(14-18)13-17-6-4-3-5-7-17/h3-9,12,15,18,23H,10-11,13-14H2,1-2H3,(H,24,26)
InChIKeyFBZAGYVPGFYGIY-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.11
Rot. Bonds6

About N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide

N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide (PubChem CID 119033860) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide
PubChem CID119033860
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)C2CCN(Cc3ccccc3)C2)ccc1F
InChIInChI=1S/C21H26FN3O/c1-15(23-19-8-9-20(22)21(12-19)24-16(2)26)18-10-11-25(14-18)13-17-6-4-3-5-7-17/h3-9,12,15,18,23H,10-11,13-14H2,1-2H3,(H,24,26)
InChIKeyFBZAGYVPGFYGIY-UHFFFAOYSA-N
XLogP4.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide (CID 119033860) is N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NC(C)C2CCN(Cc3ccccc3)C2)ccc1F.
What is the InChIKey of N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide?
The InChIKey is FBZAGYVPGFYGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15(23-19-8-9-20(22)21(12-19)24-16(2)26)18-10-11-25(14-18)13-17-6-4-3-5-7-17/h3-9,12,15,18,23H,10-11,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide?
N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-benzylpyrrolidin-3-yl)ethylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 119033860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).