1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one

C10H10FN3O3 — CID 166454408

IUPAC1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cccc([N+](=O)[O-])c2F)C1=O
InChIInChI=1S/C10H10FN3O3/c1-12-5-6-13(10(12)15)7-3-2-4-8(9(7)11)14(16)17/h2-4H,5-6H2,1H3
InChIKeyJMBZBEWCMIRTBU-UHFFFAOYSA-N
MW239.21 g/mol
LogP1.61
Rot. Bonds2

About 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one

1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one (PubChem CID 166454408) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one
PubChem CID166454408
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cccc([N+](=O)[O-])c2F)C1=O
InChIInChI=1S/C10H10FN3O3/c1-12-5-6-13(10(12)15)7-3-2-4-8(9(7)11)14(16)17/h2-4H,5-6H2,1H3
InChIKeyJMBZBEWCMIRTBU-UHFFFAOYSA-N
XLogP1.61
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperazine-2,3-dione
CID 107348517
1-(3-fluoro-4-nitrophenyl)-3-methyl-1,3-diazinan-2-one
CID 162439884
N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
CID 19592856
2-fluoro-1-nitro-3-propan-2-ylbenzene
CID 59860466
1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
CID 83822158
2-fluoro-3-nitrobenzenethiol
CID 150966196
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
CID 117026499
N-[(2-fluoro-3-nitrophenyl)methyl]-1-methylpiperidin-4-amine
CID 107348937
N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047
1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpyrrolidin-2-one
CID 107348522
5-[(2-fluoro-3-nitrophenyl)methylamino]-1-methylpiperidin-2-one
CID 107349218

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one (CID 166454408) is 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one is CN1CCN(c2cccc([N+](=O)[O-])c2F)C1=O.
What is the InChIKey of 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one?
The InChIKey is JMBZBEWCMIRTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c1-12-5-6-13(10(12)15)7-3-2-4-8(9(7)11)14(16)17/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one?
1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one has a molecular weight of 239.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 166454408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).