1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione

C16H13FN2O2 — CID 107334803

IUPAC1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
SMILESNc1cc(F)cc(N2C(=O)CC(c3ccccc3)C2=O)c1
InChIInChI=1S/C16H13FN2O2/c17-11-6-12(18)8-13(7-11)19-15(20)9-14(16(19)21)10-4-2-1-3-5-10/h1-8,14H,9,18H2
InChIKeyWHQDFGOBKXESBN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.45
Rot. Bonds2

About 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione

1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 107334803) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID107334803
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
SMILESNc1cc(F)cc(N2C(=O)CC(c3ccccc3)C2=O)c1
InChIInChI=1S/C16H13FN2O2/c17-11-6-12(18)8-13(7-11)19-15(20)9-14(16(19)21)10-4-2-1-3-5-10/h1-8,14H,9,18H2
InChIKeyWHQDFGOBKXESBN-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione 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-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 65430330
1-(5-amino-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione
CID 62881401
1-(2-amino-4-hydroxyphenyl)-3-phenylpyrrolidine-2,5-dione
CID 107698079
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
CID 60703087
1-(3,5-diaminophenyl)-3-methylpyrrolidine-2,5-dione
CID 70669514
3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione
CID 62882800
1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione
CID 122395021
1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione
CID 62354535
1,4-diphenylpiperidine-2,6-dione
CID 2812798
6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione
CID 134838028
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 61209255

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione (CID 107334803) is 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione is Nc1cc(F)cc(N2C(=O)CC(c3ccccc3)C2=O)c1.
What is the InChIKey of 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is WHQDFGOBKXESBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-11-6-12(18)8-13(7-11)19-15(20)9-14(16(19)21)10-4-2-1-3-5-10/h1-8,14H,9,18H2.
What are the key properties of 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione?
1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 284.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluorophenyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 107334803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).