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

C19H19FN2O3 — CID 42528068

IUPACN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H19FN2O3/c1-25-17-4-2-3-14(9-17)19(24)21-16-10-18(23)22(12-16)11-13-5-7-15(20)8-6-13/h2-9,16H,10-12H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyLPQGOEUGEBYYGS-MRXNPFEDSA-N
MW342.37 g/mol
LogP2.37
Rot. Bonds5

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

N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide (PubChem CID 42528068) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
PubChem CID42528068
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H19FN2O3/c1-25-17-4-2-3-14(9-17)19(24)21-16-10-18(23)22(12-16)11-13-5-7-15(20)8-6-13/h2-9,16H,10-12H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyLPQGOEUGEBYYGS-MRXNPFEDSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
3-cyano-5-fluoro-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzamide
CID 56908840
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548178
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide (CID 42528068) is N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide?
The InChIKey is LPQGOEUGEBYYGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-17-4-2-3-14(9-17)19(24)21-16-10-18(23)22(12-16)11-13-5-7-15(20)8-6-13/h2-9,16H,10-12H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide?
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide has a molecular weight of 342.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 42528068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).