(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one

C19H17FN2O2 — CID 136734365

IUPAC(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
SMILESC/C(=N\c1ccccc1)C1=C(O)[C@@H](Cc2ccc(F)cc2)NC1=O
InChIInChI=1S/C19H17FN2O2/c1-12(21-15-5-3-2-4-6-15)17-18(23)16(22-19(17)24)11-13-7-9-14(20)10-8-13/h2-10,16,23H,11H2,1H3,(H,22,24)/b21-12+/t16-/m1/s1
InChIKeyFEBVEBQBTIYAKQ-SVZNOHIVSA-N
MW324.36 g/mol
LogP3.47
Rot. Bonds4

About (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one

(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one (PubChem CID 136734365) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
PubChem CID136734365
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
SMILESC/C(=N\c1ccccc1)C1=C(O)[C@@H](Cc2ccc(F)cc2)NC1=O
InChIInChI=1S/C19H17FN2O2/c1-12(21-15-5-3-2-4-6-15)17-18(23)16(22-19(17)24)11-13-7-9-14(20)10-8-13/h2-10,16,23H,11H2,1H3,(H,22,24)/b21-12+/t16-/m1/s1
InChIKeyFEBVEBQBTIYAKQ-SVZNOHIVSA-N
XLogP3.47
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
CID 135427136
3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
CID 135500557
(2S)-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 136846996
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54727855
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452
6-benzylpiperazine-2,3,5-trione
CID 14446168
4-acetyl-3-hydroxy-2-(sulfanylmethyl)-1,2-dihydropyrrol-5-one
CID 54709936
4-hydroxy-2-methyl-5-(C-methyl-N-phenylcarbonimidoyl)-2,3-dihydropyran-6-one
CID 135604523
(3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one
CID 121274986
5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 917399
3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one
CID 71003969

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one (CID 136734365) is (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one is C/C(=N\c1ccccc1)C1=C(O)[C@@H](Cc2ccc(F)cc2)NC1=O.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The InChIKey is FEBVEBQBTIYAKQ-SVZNOHIVSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12(21-15-5-3-2-4-6-15)17-18(23)16(22-19(17)24)11-13-7-9-14(20)10-8-13/h2-10,16,23H,11H2,1H3,(H,22,24)/b21-12+/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one has a molecular weight of 324.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 136734365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).