N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H15F3N2O3 — CID 71985912

IUPACN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2c(F)cccc2OC(F)F)CC1=O
InChIInChI=1S/C14H15F3N2O3/c1-19-7-8(5-12(19)20)13(21)18-6-9-10(15)3-2-4-11(9)22-14(16)17/h2-4,8,14H,5-7H2,1H3,(H,18,21)
InChIKeyQIPGKDAPXHUPGI-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.52
Rot. Bonds5

About N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 71985912) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID71985912
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2c(F)cccc2OC(F)F)CC1=O
InChIInChI=1S/C14H15F3N2O3/c1-19-7-8(5-12(19)20)13(21)18-6-9-10(15)3-2-4-11(9)22-14(16)17/h2-4,8,14H,5-7H2,1H3,(H,18,21)
InChIKeyQIPGKDAPXHUPGI-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972675
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide
CID 71985920
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111498118
(3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41369270
(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306061
N-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49337447
N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71939165
N-[[2-(difluoromethoxy)phenyl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43052893
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
N-[(2,6-difluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513195
1-(2,6-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113192262
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1H-pyrazole-5-carboxamide
CID 71985919

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 71985912) is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCc2c(F)cccc2OC(F)F)CC1=O.
What is the InChIKey of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QIPGKDAPXHUPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-19-7-8(5-12(19)20)13(21)18-6-9-10(15)3-2-4-11(9)22-14(16)17/h2-4,8,14H,5-7H2,1H3,(H,18,21).
What are the key properties of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71985912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).