(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H13ClFN3O4 — CID 1331284

IUPAC(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C17H13ClFN3O4/c18-12-6-5-11(8-15(12)22(25)26)20-17(24)10-7-16(23)21(9-10)14-4-2-1-3-13(14)19/h1-6,8,10H,7,9H2,(H,20,24)/t10-/m1/s1
InChIKeyQBTXWFWDEFVSGI-SNVBAGLBSA-N
MW377.76 g/mol
LogP3.38
Rot. Bonds4

About (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1331284) has the molecular formula C17H13ClFN3O4 and a molecular weight of 377.76 g/mol. Its IUPAC name is (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1331284
Molecular FormulaC17H13ClFN3O4
Molecular Weight377.76 g/mol
Exact Mass377.06
IUPAC Name(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C17H13ClFN3O4/c18-12-6-5-11(8-15(12)22(25)26)20-17(24)10-7-16(23)21(9-10)14-4-2-1-3-13(14)19/h1-6,8,10H,7,9H2,(H,20,24)/t10-/m1/s1
InChIKeyQBTXWFWDEFVSGI-SNVBAGLBSA-N
XLogP3.38
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 53.38
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)-1-(2-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7304214
N-(4-chloro-3-cyanophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55480879
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674511
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
(3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9212041
(3R)-N-(4-chloro-3-nitrophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388767
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529112
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 1331284) is (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QBTXWFWDEFVSGI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13ClFN3O4/c18-12-6-5-11(8-15(12)22(25)26)20-17(24)10-7-16(23)21(9-10)14-4-2-1-3-13(14)19/h1-6,8,10H,7,9H2,(H,20,24)/t10-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1331284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).