1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

C20H18FN3O4 — CID 55607622

IUPAC1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2=O)c(F)c1
InChIInChI=1S/C20H18FN3O4/c1-12-2-4-18(16(21)8-12)23-11-14(10-19(23)25)20(26)22-7-6-13-9-15(24(27)28)3-5-17(13)22/h2-5,8-9,14H,6-7,10-11H2,1H3
InChIKeyRRHIPGHRMRHWSP-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 55607622) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID55607622
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2=O)c(F)c1
InChIInChI=1S/C20H18FN3O4/c1-12-2-4-18(16(21)8-12)23-11-14(10-19(23)25)20(26)22-7-6-13-9-15(24(27)28)3-5-17(13)22/h2-5,8-9,14H,6-7,10-11H2,1H3
InChIKeyRRHIPGHRMRHWSP-UHFFFAOYSA-N
XLogP2.98
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
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'}

Analyze 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one 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

4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110427289
1-(4-bromo-3-methylphenyl)-4-(6-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 55580429
1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155872
1-(2-fluoro-4-methylphenyl)-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 56811933
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
2-[4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56585984
4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 166199165
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55607540
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
(5-methyl-2,3-dihydroindol-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166197392
(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39091506
methyl 2-[2-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 55605786

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 55607622) is 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is RRHIPGHRMRHWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-12-2-4-18(16(21)8-12)23-11-14(10-19(23)25)20(26)22-7-6-13-9-15(24(27)28)3-5-17(13)22/h2-5,8-9,14H,6-7,10-11H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 383.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 55607622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).