[4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate

C17H16F3NO2 — CID 23059414

IUPAC[4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)14-8-10-15(11-9-14)23-16(22)21-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,21,22)
InChIKeyFWUGTLKOAWAJTM-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.43
Rot. Bonds5

About [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate

[4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate (PubChem CID 23059414) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate
PubChem CID23059414
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name[4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)14-8-10-15(11-9-14)23-16(22)21-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,21,22)
InChIKeyFWUGTLKOAWAJTM-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.43
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 [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate (CID 23059414) is [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate is O=C(NCCCc1ccccc1)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate?
The InChIKey is FWUGTLKOAWAJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)14-8-10-15(11-9-14)23-16(22)21-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,21,22).
What are the key properties of [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate?
[4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate has a molecular weight of 323.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N-(3-phenylpropyl)carbamate is sourced from PubChem (CID 23059414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).