N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide

C13H16F2N2O2 — CID 119763033

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(OC(F)F)c1)C1CCNC1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-3-1-2-9(6-11)7-17-12(18)10-4-5-16-8-10/h1-3,6,10,13,16H,4-5,7-8H2,(H,17,18)
InChIKeyCSNLDPSEACERIK-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.51
Rot. Bonds5

About N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide

N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119763033) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119763033
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(OC(F)F)c1)C1CCNC1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)19-11-3-1-2-9(6-11)7-17-12(18)10-4-5-16-8-10/h1-3,6,10,13,16H,4-5,7-8H2,(H,17,18)
InChIKeyCSNLDPSEACERIK-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119283411
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
CID 119285299

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide (CID 119763033) is N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1cccc(OC(F)F)c1)C1CCNC1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is CSNLDPSEACERIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)19-11-3-1-2-9(6-11)7-17-12(18)10-4-5-16-8-10/h1-3,6,10,13,16H,4-5,7-8H2,(H,17,18).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119763033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).