N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H20ClFN2O2 — CID 113183465

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)c(Cl)c1
InChIInChI=1S/C20H20ClFN2O2/c1-12-7-13(2)19(16(21)8-12)23-20(26)15-9-18(25)24(11-15)10-14-5-3-4-6-17(14)22/h3-8,15H,9-11H2,1-2H3,(H,23,26)
InChIKeyVVOFDEJAKCMJRT-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.08
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113183465) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113183465
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)c(Cl)c1
InChIInChI=1S/C20H20ClFN2O2/c1-12-7-13(2)19(16(21)8-12)23-20(26)15-9-18(25)24(11-15)10-14-5-3-4-6-17(14)22/h3-8,15H,9-11H2,1-2H3,(H,23,26)
InChIKeyVVOFDEJAKCMJRT-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186325
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
(3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8865073
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
N-(2-chloro-4,6-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185945
N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183254
N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183459
N-(2-chloro-4,6-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187357
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9097492

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113183465) is N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VVOFDEJAKCMJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-12-7-13(2)19(16(21)8-12)23-20(26)15-9-18(25)24(11-15)10-14-5-3-4-6-17(14)22/h3-8,15H,9-11H2,1-2H3,(H,23,26).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113183465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).