[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate

C18H17F3N2O2 — CID 121425435

IUPAC[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(F)cc1-c1cc(F)cc(F)c1)OC[C@@H]1CCNC1
InChIInChI=1S/C18H17F3N2O2/c19-13-1-2-17(23-18(24)25-10-11-3-4-22-9-11)16(8-13)12-5-14(20)7-15(21)6-12/h1-2,5-8,11,22H,3-4,9-10H2,(H,23,24)/t11-/m1/s1
InChIKeyUDDZMLZFSKDFSV-LLVKDONJSA-N
MW350.34 g/mol
LogP3.93
Rot. Bonds4

About [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate

[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate (PubChem CID 121425435) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate
PubChem CID121425435
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(F)cc1-c1cc(F)cc(F)c1)OC[C@@H]1CCNC1
InChIInChI=1S/C18H17F3N2O2/c19-13-1-2-17(23-18(24)25-10-11-3-4-22-9-11)16(8-13)12-5-14(20)7-15(21)6-12/h1-2,5-8,11,22H,3-4,9-10H2,(H,23,24)/t11-/m1/s1
InChIKeyUDDZMLZFSKDFSV-LLVKDONJSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 79338245
4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid
CID 138680042
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
CID 79337024
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
tert-butyl 4-[[2-(4-chlorophenyl)-4-fluorophenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710937
tert-butyl 4-[[4-fluoro-2-(4-methoxyphenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710663
2-(1-methylpyrrolidin-2-yl)ethyl N-[4-chloro-2-(3,5-difluorophenyl)phenyl]carbamate
CID 121425433
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(4-tert-butylphenyl)-4-fluorophenyl]carbamate
CID 121425528
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
CID 20716331
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
CID 121425501

Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate?
The IUPAC name of [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate (CID 121425435) is [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate?
The canonical SMILES for [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate is O=C(Nc1ccc(F)cc1-c1cc(F)cc(F)c1)OC[C@@H]1CCNC1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate?
The InChIKey is UDDZMLZFSKDFSV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-13-1-2-17(23-18(24)25-10-11-3-4-22-9-11)16(8-13)12-5-14(20)7-15(21)6-12/h1-2,5-8,11,22H,3-4,9-10H2,(H,23,24)/t11-/m1/s1.
What are the key properties of [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate?
[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate has a molecular weight of 350.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate is sourced from PubChem (CID 121425435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).