methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C20H19FN2O4 — CID 113183484

IUPACmethyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H19FN2O4/c1-27-20(26)15-7-3-5-9-17(15)22-19(25)14-10-18(24)23(12-14)11-13-6-2-4-8-16(13)21/h2-9,14H,10-12H2,1H3,(H,22,25)
InChIKeyIMJWFDZGQHEXIM-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.60
Rot. Bonds5

About methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate

methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 113183484) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID113183484
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Namemethyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H19FN2O4/c1-27-20(26)15-7-3-5-9-17(15)22-19(25)14-10-18(24)23(12-14)11-13-6-2-4-8-16(13)21/h2-9,14H,10-12H2,1H3,(H,22,25)
InChIKeyIMJWFDZGQHEXIM-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183235
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
N-(2-bromophenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183492
1-[(2-fluorophenyl)methyl]-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113183477
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113185364
N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183459
N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183470
methyl 2-[[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate
CID 9401051
methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate
CID 9401047
(3R)-1-ethyl-N-[2-(methoxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94118374
methyl 2-[[1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113190189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 113183484) is methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is IMJWFDZGQHEXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-27-20(26)15-7-3-5-9-17(15)22-19(25)14-10-18(24)23(12-14)11-13-6-2-4-8-16(13)21/h2-9,14H,10-12H2,1H3,(H,22,25).
What are the key properties of methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 370.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 113183484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).