N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H18F2N2O2 — CID 113192236

IUPACN-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C19H18F2N2O2/c1-22(11-13-6-3-2-4-7-13)19(25)14-10-17(24)23(12-14)18-15(20)8-5-9-16(18)21/h2-9,14H,10-12H2,1H3
InChIKeyKBDKKQNOQJZDPW-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.98
Rot. Bonds4

About N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192236) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113192236
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2c(F)cccc2F)C1
InChIInChI=1S/C19H18F2N2O2/c1-22(11-13-6-3-2-4-7-13)19(25)14-10-17(24)23(12-14)18-15(20)8-5-9-16(18)21/h2-9,14H,10-12H2,1H3
InChIKeyKBDKKQNOQJZDPW-UHFFFAOYSA-N
XLogP2.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2,6-difluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192275
N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 71703437
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
(3R)-1-(2-fluorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51925069
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
N-[(2-bromophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55360083
1-(2-bromophenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42952625
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113192285
N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86929622

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 113192236) is N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CC(=O)N(c2c(F)cccc2F)C1.
What is the InChIKey of N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KBDKKQNOQJZDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-22(11-13-6-3-2-4-7-13)19(25)14-10-17(24)23(12-14)18-15(20)8-5-9-16(18)21/h2-9,14H,10-12H2,1H3.
What are the key properties of N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).