5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate

C20H24FNO2 — CID 6734413

IUPAC5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1cccc(F)c1)OCCCCCc1ccccc1
InChIInChI=1S/C20H24FNO2/c21-19-12-7-11-18(16-19)13-14-22-20(23)24-15-6-2-5-10-17-8-3-1-4-9-17/h1,3-4,7-9,11-12,16H,2,5-6,10,13-15H2,(H,22,23)
InChIKeyGOZLYOLHXUPZSM-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.51
Rot. Bonds9

About 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate

5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate (PubChem CID 6734413) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate
PubChem CID6734413
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1cccc(F)c1)OCCCCCc1ccccc1
InChIInChI=1S/C20H24FNO2/c21-19-12-7-11-18(16-19)13-14-22-20(23)24-15-6-2-5-10-17-8-3-1-4-9-17/h1,3-4,7-9,11-12,16H,2,5-6,10,13-15H2,(H,22,23)
InChIKeyGOZLYOLHXUPZSM-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The IUPAC name of 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate (CID 6734413) is 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The canonical SMILES for 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate is O=C(NCCc1cccc(F)c1)OCCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The InChIKey is GOZLYOLHXUPZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-19-12-7-11-18(16-19)13-14-22-20(23)24-15-6-2-5-10-17-8-3-1-4-9-17/h1,3-4,7-9,11-12,16H,2,5-6,10,13-15H2,(H,22,23).
What are the key properties of 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate?
5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate has a molecular weight of 329.42 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl N-[2-(3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 6734413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).