3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate

C18H20FNO2 — CID 6736615

IUPAC3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1cccc(F)c1)OCCCc1ccccc1
InChIInChI=1S/C18H20FNO2/c19-17-10-4-8-16(14-17)11-12-20-18(21)22-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13H2,(H,20,21)
InChIKeyOZWWAJFDHUAIBY-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.73
Rot. Bonds7

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

3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate (PubChem CID 6736615) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate
PubChem CID6736615
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1cccc(F)c1)OCCCc1ccccc1
InChIInChI=1S/C18H20FNO2/c19-17-10-4-8-16(14-17)11-12-20-18(21)22-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13H2,(H,20,21)
InChIKeyOZWWAJFDHUAIBY-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.73
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 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The IUPAC name of 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate (CID 6736615) is 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The canonical SMILES for 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate is O=C(NCCc1cccc(F)c1)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The InChIKey is OZWWAJFDHUAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-17-10-4-8-16(14-17)11-12-20-18(21)22-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13H2,(H,20,21).
What are the key properties of 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate?
3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate has a molecular weight of 301.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl N-[2-(3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 6736615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).