pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate

C12H15FN2O2 — CID 79337811

IUPACpyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OCC1CCCN1
InChIInChI=1S/C12H15FN2O2/c13-10-5-1-2-6-11(10)15-12(16)17-8-9-4-3-7-14-9/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16)
InChIKeyWWHXVSISFBWRAY-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.13
Rot. Bonds3

About pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate

pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate (PubChem CID 79337811) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Namepyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
PubChem CID79337811
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Namepyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OCC1CCCN1
InChIInChI=1S/C12H15FN2O2/c13-10-5-1-2-6-11(10)15-12(16)17-8-9-4-3-7-14-9/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16)
InChIKeyWWHXVSISFBWRAY-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
CID 163634504
piperidin-2-ylmethyl N-(2-methoxyphenyl)carbamate
CID 79337607
pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate
CID 79338111
2-phenylbenzoic acid;[(2S)-pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
CID 121411230
[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate
CID 7235948
1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629687
3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 106613441
piperidin-2-ylmethyl N-(4-methylphenyl)carbamate
CID 79337808
3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 43187196
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304885
9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
CID 122705893

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate?
The IUPAC name of pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate (CID 79337811) is pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate.
What is the SMILES notation for pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate?
The canonical SMILES for pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate is O=C(Nc1ccccc1F)OCC1CCCN1.
What is the InChIKey of pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate?
The InChIKey is WWHXVSISFBWRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-5-1-2-6-11(10)15-12(16)17-8-9-4-3-7-14-9/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16).
What are the key properties of pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate?
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate has a molecular weight of 238.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 79337811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).