N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C22H25FN2O2 — CID 113183539

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O2/c1-16(2)25(14-17-6-4-3-5-7-17)22(27)19-12-21(26)24(15-19)13-18-8-10-20(23)11-9-18/h3-11,16,19H,12-15H2,1-2H3
InChIKeySTCRCUKXMISNBE-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.61
Rot. Bonds6

About N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 113183539) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID113183539
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O2/c1-16(2)25(14-17-6-4-3-5-7-17)22(27)19-12-21(26)24(15-19)13-18-8-10-20(23)11-9-18/h3-11,16,19H,12-15H2,1-2H3
InChIKeySTCRCUKXMISNBE-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(2-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183447
N-benzyl-1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113185023
(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 136793456
N-benzyl-1-(2,6-difluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192275
N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113190164
(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9352300
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
1-[(4-methylphenyl)methyl]-5-oxo-N-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 55921246
1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86925371
methyl 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 42881896
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 113183539) is N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is STCRCUKXMISNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16(2)25(14-17-6-4-3-5-7-17)22(27)19-12-21(26)24(15-19)13-18-8-10-20(23)11-9-18/h3-11,16,19H,12-15H2,1-2H3.
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113183539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).