N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide

C19H19FN2O3 — CID 40895555

IUPACN-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN2O3/c1-25-17-5-3-2-4-16(17)19(24)21-11-13-10-18(23)22(12-13)15-8-6-14(20)7-9-15/h2-9,13H,10-12H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyRTEODKYLSVRZSJ-ZDUSSCGKSA-N
MW342.37 g/mol
LogP2.62
Rot. Bonds5

About N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide

N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide (PubChem CID 40895555) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
PubChem CID40895555
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN2O3/c1-25-17-5-3-2-4-16(17)19(24)21-11-13-10-18(23)22(12-13)15-8-6-14(20)7-9-15/h2-9,13H,10-12H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyRTEODKYLSVRZSJ-ZDUSSCGKSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 40876673
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
CID 16918695
[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate
CID 16918481
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
1-[(3,4-dimethoxyphenyl)methyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920106
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 40895865
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide (CID 40895555) is N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide?
The InChIKey is RTEODKYLSVRZSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-17-5-3-2-4-16(17)19(24)21-11-13-10-18(23)22(12-13)15-8-6-14(20)7-9-15/h2-9,13H,10-12H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide?
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide has a molecular weight of 342.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 40895555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).