N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide

C16H19FN2O2 — CID 71784679

IUPACN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC(Cc1cccc(F)c1)n1cccc1
InChIInChI=1S/C16H19FN2O2/c1-21-12-16(20)18-11-15(19-7-2-3-8-19)10-13-5-4-6-14(17)9-13/h2-9,15H,10-12H2,1H3,(H,18,20)
InChIKeyIPACJTRGALUTGT-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.17
Rot. Bonds7

About N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide

N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide (PubChem CID 71784679) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide
PubChem CID71784679
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC(Cc1cccc(F)c1)n1cccc1
InChIInChI=1S/C16H19FN2O2/c1-21-12-16(20)18-11-15(19-7-2-3-8-19)10-13-5-4-6-14(17)9-13/h2-9,15H,10-12H2,1H3,(H,18,20)
InChIKeyIPACJTRGALUTGT-UHFFFAOYSA-N
XLogP2.17
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide (CID 71784679) is N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide is COCC(=O)NCC(Cc1cccc(F)c1)n1cccc1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide?
The InChIKey is IPACJTRGALUTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-21-12-16(20)18-11-15(19-7-2-3-8-19)10-13-5-4-6-14(17)9-13/h2-9,15H,10-12H2,1H3,(H,18,20).
What are the key properties of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide?
N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide has a molecular weight of 290.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-2-methoxyacetamide is sourced from PubChem (CID 71784679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).