N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

C15H21FN2O2 — CID 62467277

IUPACN-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CCCO)Nc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c16-12-5-7-13(8-6-12)17-15(20)11-18-9-1-3-14(18)4-2-10-19/h5-8,14,19H,1-4,9-11H2,(H,17,20)
InChIKeyPDLVPSLGSFPISN-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.00
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 62467277) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID62467277
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CCCO)Nc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c16-12-5-7-13(8-6-12)17-15(20)11-18-9-1-3-14(18)4-2-10-19/h5-8,14,19H,1-4,9-11H2,(H,17,20)
InChIKeyPDLVPSLGSFPISN-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 62467277) is N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1CCCO)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is PDLVPSLGSFPISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-12-5-7-13(8-6-12)17-15(20)11-18-9-1-3-14(18)4-2-10-19/h5-8,14,19H,1-4,9-11H2,(H,17,20).
What are the key properties of N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 280.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62467277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).