hexyl N-(2-fluorophenyl)-N-phenylcarbamate

C19H22FNO2 — CID 91318061

IUPAChexyl N-(2-fluorophenyl)-N-phenylcarbamate
SMILESCCCCCCOC(=O)N(c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-2-3-4-10-15-23-19(22)21(16-11-6-5-7-12-16)18-14-9-8-13-17(18)20/h5-9,11-14H,2-4,10,15H2,1H3
InChIKeyULHVVWHLJPKAEG-UHFFFAOYSA-N
MW315.39 g/mol
LogP5.68
Rot. Bonds7

About hexyl N-(2-fluorophenyl)-N-phenylcarbamate

hexyl N-(2-fluorophenyl)-N-phenylcarbamate (PubChem CID 91318061) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is hexyl N-(2-fluorophenyl)-N-phenylcarbamate.

Molecular Properties

Compound Namehexyl N-(2-fluorophenyl)-N-phenylcarbamate
PubChem CID91318061
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Namehexyl N-(2-fluorophenyl)-N-phenylcarbamate
SMILESCCCCCCOC(=O)N(c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-2-3-4-10-15-23-19(22)21(16-11-6-5-7-12-16)18-14-9-8-13-17(18)20/h5-9,11-14H,2-4,10,15H2,1H3
InChIKeyULHVVWHLJPKAEG-UHFFFAOYSA-N
XLogP5.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
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 hexyl N-(2-fluorophenyl)-N-phenylcarbamate?
The IUPAC name of hexyl N-(2-fluorophenyl)-N-phenylcarbamate (CID 91318061) is hexyl N-(2-fluorophenyl)-N-phenylcarbamate.
What is the SMILES notation for hexyl N-(2-fluorophenyl)-N-phenylcarbamate?
The canonical SMILES for hexyl N-(2-fluorophenyl)-N-phenylcarbamate is CCCCCCOC(=O)N(c1ccccc1)c1ccccc1F.
What is the InChIKey of hexyl N-(2-fluorophenyl)-N-phenylcarbamate?
The InChIKey is ULHVVWHLJPKAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-2-3-4-10-15-23-19(22)21(16-11-6-5-7-12-16)18-14-9-8-13-17(18)20/h5-9,11-14H,2-4,10,15H2,1H3.
What are the key properties of hexyl N-(2-fluorophenyl)-N-phenylcarbamate?
hexyl N-(2-fluorophenyl)-N-phenylcarbamate has a molecular weight of 315.39 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-(2-fluorophenyl)-N-phenylcarbamate is sourced from PubChem (CID 91318061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).