N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C21H20FN3O2 — CID 86929622

IUPACN-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C)Cc3cccc(C#N)c3)CC2=O)c(F)c1
InChIInChI=1S/C21H20FN3O2/c1-14-6-7-19(18(22)8-14)25-13-17(10-20(25)26)21(27)24(2)12-16-5-3-4-15(9-16)11-23/h3-9,17H,10,12-13H2,1-2H3
InChIKeyBGIFOXNOMNZKNF-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.02
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 86929622) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID86929622
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C)Cc3cccc(C#N)c3)CC2=O)c(F)c1
InChIInChI=1S/C21H20FN3O2/c1-14-6-7-19(18(22)8-14)25-13-17(10-20(25)26)21(27)24(2)12-16-5-3-4-15(9-16)11-23/h3-9,17H,10,12-13H2,1-2H3
InChIKeyBGIFOXNOMNZKNF-UHFFFAOYSA-N
XLogP3.02
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-[(3-cyanophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55579461
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236
2-[2-(dimethylamino)ethyl-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 125152039
N-(3-ethylphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686190
1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55617951
(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39091506
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55606205
N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 56516892
N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55594138
1-(2-fluoro-4-methylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55695071
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46422767
N-benzyl-1-(3-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191914

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 86929622) is N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)N(C)Cc3cccc(C#N)c3)CC2=O)c(F)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BGIFOXNOMNZKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-6-7-19(18(22)8-14)25-13-17(10-20(25)26)21(27)24(2)12-16-5-3-4-15(9-16)11-23/h3-9,17H,10,12-13H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86929622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).