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

C12H15FN2O2 — CID 79338245

IUPACpyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCC1CCNC1
InChIInChI=1S/C12H15FN2O2/c13-10-2-1-3-11(6-10)15-12(16)17-8-9-4-5-14-7-9/h1-3,6,9,14H,4-5,7-8H2,(H,15,16)
InChIKeyWWIVJBQOTSJSKU-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.98
Rot. Bonds3

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

pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate (PubChem CID 79338245) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Namepyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
PubChem CID79338245
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Namepyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCC1CCNC1
InChIInChI=1S/C12H15FN2O2/c13-10-2-1-3-11(6-10)15-12(16)17-8-9-4-5-14-7-9/h1-3,6,9,14H,4-5,7-8H2,(H,15,16)
InChIKeyWWIVJBQOTSJSKU-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate
CID 121425435
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
CID 79337024
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79344499
N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62372283
N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
CID 69171945
2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
CID 114796625
1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
CID 114955836
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
N-(3-fluorophenyl)piperazine-2-carboxamide
CID 63103446

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate?
The IUPAC name of pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate (CID 79338245) is pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)OCC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate?
The InChIKey is WWIVJBQOTSJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-2-1-3-11(6-10)15-12(16)17-8-9-4-5-14-7-9/h1-3,6,9,14H,4-5,7-8H2,(H,15,16).
What are the key properties of pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate?
pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate has a molecular weight of 238.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 79338245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).