(3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H17F2N3O4 — CID 9374197

IUPAC(3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H17F2N3O4/c20-14-3-1-12(2-4-14)7-8-23-11-13(9-18(23)25)19(26)22-15-5-6-16(21)17(10-15)24(27)28/h1-6,10,13H,7-9,11H2,(H,22,26)/t13-/m1/s1
InChIKeyYKPOYQHEIADQDV-CYBMUJFWSA-N
MW389.36 g/mol
LogP2.90
Rot. Bonds6

About (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9374197) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9374197
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name(3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H17F2N3O4/c20-14-3-1-12(2-4-14)7-8-23-11-13(9-18(23)25)19(26)22-15-5-6-16(21)17(10-15)24(27)28/h1-6,10,13H,7-9,11H2,(H,22,26)/t13-/m1/s1
InChIKeyYKPOYQHEIADQDV-CYBMUJFWSA-N
XLogP2.90
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980
N-(4-fluoro-3-nitrophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125696
(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374219
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
1-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185071
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184349
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40964057
(3R)-N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337070
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462967
N-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185059
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374483

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 9374197) is (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YKPOYQHEIADQDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c20-14-3-1-12(2-4-14)7-8-23-11-13(9-18(23)25)19(26)22-15-5-6-16(21)17(10-15)24(27)28/h1-6,10,13H,7-9,11H2,(H,22,26)/t13-/m1/s1.
What are the key properties of (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9374197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).