2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

C19H20F2N2O2 — CID 67239519

IUPAC2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N2O2/c20-16-3-6-18(21)14(11-16)8-10-25-19(24)23-17-4-1-13(2-5-17)15-7-9-22-12-15/h1-6,11,15,22H,7-10,12H2,(H,23,24)
InChIKeyZUHSZYHIYSSYLY-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.83
Rot. Bonds5

About 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 67239519) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
PubChem CID67239519
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N2O2/c20-16-3-6-18(21)14(11-16)8-10-25-19(24)23-17-4-1-13(2-5-17)15-7-9-22-12-15/h1-6,11,15,22H,7-10,12H2,(H,23,24)
InChIKeyZUHSZYHIYSSYLY-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)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

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
CID 138710768
piperidin-4-ylmethyl N-[4-fluoro-2-(4-fluorophenyl)phenyl]carbamate
CID 138711318
piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
CID 138711325
piperidin-4-ylmethyl N-[2-(3,4,5-trifluorophenyl)phenyl]carbamate
CID 156015287
benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate
CID 46830231
piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate
CID 138711334
3-(4-chlorophenyl)propyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67239997
2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240050
(RS)-(4-pyrrolidin-3-yl-phenyl)-carbamic acid 2-(4-chloro-phenyl)-ethyl ester
CID 67240753
2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67241442
benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride
CID 46830230
AChE/BChE-IN-6
CID 162674122

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (CID 67239519) is 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is O=C(Nc1ccc(C2CCNC2)cc1)OCCc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is ZUHSZYHIYSSYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-3-6-18(21)14(11-16)8-10-25-19(24)23-17-4-1-13(2-5-17)15-7-9-22-12-15/h1-6,11,15,22H,7-10,12H2,(H,23,24).
What are the key properties of 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 346.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 67239519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).