(4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate

C18H19FN2O2 — CID 67238658

IUPAC(4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c19-16-5-1-13(2-6-16)12-23-18(22)21-17-7-3-14(4-8-17)15-9-10-20-11-15/h1-8,15,20H,9-12H2,(H,21,22)
InChIKeyWJZDOCRKFKGTBX-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.65
Rot. Bonds4

About (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate

(4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 67238658) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate
PubChem CID67238658
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c19-16-5-1-13(2-6-16)12-23-18(22)21-17-7-3-14(4-8-17)15-9-10-20-11-15/h1-8,15,20H,9-12H2,(H,21,22)
InChIKeyWJZDOCRKFKGTBX-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate (CID 67238658) is (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate is O=C(Nc1ccc(C2CCNC2)cc1)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is WJZDOCRKFKGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-5-1-13(2-6-16)12-23-18(22)21-17-7-3-14(4-8-17)15-9-10-20-11-15/h1-8,15,20H,9-12H2,(H,21,22).
What are the key properties of (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
(4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 314.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-(4-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 67238658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).