1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C14H17FN2O2 — CID 43437281

IUPAC1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(F)cc2N)C1=O
InChIInChI=1S/C14H17FN2O2/c1-8(2)14(3)7-12(18)17(13(14)19)11-5-4-9(15)6-10(11)16/h4-6,8H,7,16H2,1-3H3
InChIKeyMYCCUGUQYBTYHN-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.33
Rot. Bonds2

About 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43437281) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43437281
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(F)cc2N)C1=O
InChIInChI=1S/C14H17FN2O2/c1-8(2)14(3)7-12(18)17(13(14)19)11-5-4-9(15)6-10(11)16/h4-6,8H,7,16H2,1-3H3
InChIKeyMYCCUGUQYBTYHN-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.33
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'}

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Related Compounds

1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 107698094
1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437275
4-fluoro-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 60828845
1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 114259696
1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61350558
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 43437399
1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103499448
2-fluoro-5-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 60829504
3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylic acid
CID 43437495
1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62931389
4-(2-amino-4-fluorophenyl)-3,3-dimethylpiperazin-2-one
CID 63596156
1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437343

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 43437281) is 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(c2ccc(F)cc2N)C1=O.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is MYCCUGUQYBTYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8(2)14(3)7-12(18)17(13(14)19)11-5-4-9(15)6-10(11)16/h4-6,8H,7,16H2,1-3H3.
What are the key properties of 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43437281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).