(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile

C36H33F2N5O5 — CID 160501661

IUPAC(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile
SMILESN#C[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1.NC(=NO)[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H18FN3O3.C18H15FN2O2/c19-14-3-1-2-12(8-14)11-25-16-6-4-15(5-7-16)22-10-13(9-17(22)23)18(20)21-24;19-15-3-1-2-13(8-15)12-23-17-6-4-16(5-7-17)21-11-14(10-20)9-18(21)22/h1-8,13,24H,9-11H2,(H2,20,21);1-8,14H,9,11-12H2/t13-;14-/m10/s1
InChIKeyQRWAYBGBVJHANU-KHAUVTNHSA-N
MW653.69 g/mol
LogP5.79
Rot. Bonds9

About (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile

(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile (PubChem CID 160501661) has the molecular formula C36H33F2N5O5 and a molecular weight of 653.69 g/mol. Its IUPAC name is (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile
PubChem CID160501661
Molecular FormulaC36H33F2N5O5
Molecular Weight653.69 g/mol
Exact Mass653.24
IUPAC Name(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile
SMILESN#C[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1.NC(=NO)[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H18FN3O3.C18H15FN2O2/c19-14-3-1-2-12(8-14)11-25-16-6-4-15(5-7-16)22-10-13(9-17(22)23)18(20)21-24;19-15-3-1-2-13(8-15)12-23-17-6-4-16(5-7-17)21-11-14(10-20)9-18(21)22/h1-8,13,24H,9-11H2,(H2,20,21);1-8,14H,9,11-12H2/t13-;14-/m10/s1
InChIKeyQRWAYBGBVJHANU-KHAUVTNHSA-N
XLogP5.79
TPSA141.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.69
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one
CID 122492399
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 91215206
[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
CID 67411336
N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 10246762
ethane;N-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 144836613
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
tert-butyl N-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]carbamate
CID 68615181
N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
CID 138111840
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 67011889
(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 68614672
(3S)-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68614064
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile (CID 160501661) is (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile is N#C[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1.NC(=NO)[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1.
What is the InChIKey of (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is QRWAYBGBVJHANU-KHAUVTNHSA-N. The full InChI is InChI=1S/C18H18FN3O3.C18H15FN2O2/c19-14-3-1-2-12(8-14)11-25-16-6-4-15(5-7-16)22-10-13(9-17(22)23)18(20)21-24;19-15-3-1-2-13(8-15)12-23-17-6-4-16(5-7-17)21-11-14(10-20)9-18(21)22/h1-8,13,24H,9-11H2,(H2,20,21);1-8,14H,9,11-12H2/t13-;14-/m10/s1.
What are the key properties of (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile?
(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 653.69 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 160501661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).