(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C13H16F2N2O2 — CID 61252076

IUPAC(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)[C@@H]1CCCN1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-6-2-1-4-9(11)8-17-12(18)10-5-3-7-16-10/h1-2,4,6,10,13,16H,3,5,7-8H2,(H,17,18)/t10-/m0/s1
InChIKeyVMWFVAOPMRRZPA-JTQLQIEISA-N
MW270.28 g/mol
LogP1.66
Rot. Bonds5

About (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 61252076) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID61252076
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)[C@@H]1CCCN1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-6-2-1-4-9(11)8-17-12(18)10-5-3-7-16-10/h1-2,4,6,10,13,16H,3,5,7-8H2,(H,17,18)/t10-/m0/s1
InChIKeyVMWFVAOPMRRZPA-JTQLQIEISA-N
XLogP1.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119340121
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
N-[[2-(difluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276984
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 61252076) is (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1OC(F)F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VMWFVAOPMRRZPA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)19-11-6-2-1-4-9(11)8-17-12(18)10-5-3-7-16-10/h1-2,4,6,10,13,16H,3,5,7-8H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61252076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).