N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H19FN2O2 — CID 46109595

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN2O2/c20-17-8-6-15(7-9-17)12-22-13-16(10-18(22)23)19(24)21-11-14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,21,24)
InChIKeyDGALQOVJYMQNQV-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.49
Rot. Bonds5

About N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109595) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46109595
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN2O2/c20-17-8-6-15(7-9-17)12-22-13-16(10-18(22)23)19(24)21-11-14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,21,24)
InChIKeyDGALQOVJYMQNQV-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65926
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(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
Ksp-IA
CID 24901494
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
N, N-Bis(phenylmethyl)hexanediamide
CID 4079537
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
CID 285516
N1-(4-fluorobenzyl)-2-benzyl-N3-hydroxymalonamide
CID 16114884
3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901493
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46109595) is N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)C1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DGALQOVJYMQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-8-6-15(7-9-17)12-22-13-16(10-18(22)23)19(24)21-11-14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H,21,24).
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).