N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C22H22FN3O2 — CID 55594138

IUPACN-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H22FN3O2/c1-2-11-25(14-17-9-7-16(13-24)8-10-17)22(28)18-12-21(27)26(15-18)20-6-4-3-5-19(20)23/h3-10,18H,2,11-12,14-15H2,1H3
InChIKeyBSIXVKQOGFYIPM-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 55594138) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID55594138
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H22FN3O2/c1-2-11-25(14-17-9-7-16(13-24)8-10-17)22(28)18-12-21(27)26(15-18)20-6-4-3-5-19(20)23/h3-10,18H,2,11-12,14-15H2,1H3
InChIKeyBSIXVKQOGFYIPM-UHFFFAOYSA-N
XLogP3.49
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205463
1-(2-fluorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 18886103
1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 46554924
N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide
CID 55651337
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190608
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30933762
(3R)-1-(2-fluorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51925069
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937
N-ethyl-1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43052325
N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192006
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080781

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 55594138) is N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is BSIXVKQOGFYIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-2-11-25(14-17-9-7-16(13-24)8-10-17)22(28)18-12-21(27)26(15-18)20-6-4-3-5-19(20)23/h3-10,18H,2,11-12,14-15H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55594138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).