pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate

C13H11FN2O2 — CID 4524913

IUPACpyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCc1cccnc1
InChIInChI=1S/C13H11FN2O2/c14-11-4-1-5-12(7-11)16-13(17)18-9-10-3-2-6-15-8-10/h1-8H,9H2,(H,16,17)
InChIKeyJPKOCLSXZBFXRB-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.97
Rot. Bonds3

About pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate

pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate (PubChem CID 4524913) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
PubChem CID4524913
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namepyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCc1cccnc1
InChIInChI=1S/C13H11FN2O2/c14-11-4-1-5-12(7-11)16-13(17)18-9-10-3-2-6-15-8-10/h1-8H,9H2,(H,16,17)
InChIKeyJPKOCLSXZBFXRB-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
CID 134125017
N-(3-fluorophenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425726
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
CID 1213745
(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
CID 171824215
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
CID 79338015
3-chloropropyl N-(3-fluorophenyl)carbamate
CID 103970573
N-(3-fluorophenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064872
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate?
The IUPAC name of pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate (CID 4524913) is pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate?
The InChIKey is JPKOCLSXZBFXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-4-1-5-12(7-11)16-13(17)18-9-10-3-2-6-15-8-10/h1-8H,9H2,(H,16,17).
What are the key properties of pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate?
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate has a molecular weight of 246.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 4524913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).