1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione

C13H12FN3O4 — CID 86960667

IUPAC1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O4/c14-10-2-1-3-11(17(20)21)9(10)6-16-12(18)7-15(13(16)19)8-4-5-8/h1-3,8H,4-7H2
InChIKeyPRLORZGBYQSESX-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.66
Rot. Bonds4

About 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione

1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 86960667) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID86960667
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O4/c14-10-2-1-3-11(17(20)21)9(10)6-16-12(18)7-15(13(16)19)8-4-5-8/h1-3,8H,4-7H2
InChIKeyPRLORZGBYQSESX-UHFFFAOYSA-N
XLogP1.66
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-cyclopropylimidazolidine-2,4-dione
CID 87022344
1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-4-yl]ethanol
CID 111114038
1-cyclopropyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 87022452
(3S)-1-[(2-fluoro-6-nitrophenyl)methyl]-3-(methylsulfanylmethyl)pyrrolidine
CID 95981229
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 87022436
2-(3-chloropropyl)-1-fluoro-3-nitrobenzene
CID 118802068
trifluoro-[(2-fluoro-6-nitrophenyl)methyl]boranuide
CID 171373996
(4S)-1-cyclopropyl-4-[(3-fluoro-2-nitroanilino)methyl]pyrrolidin-2-one
CID 124884451
N-(2-fluoro-6-nitrophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81305631
2-[[3-fluoro-8-[(2-fluoro-6-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 74539447
1-[(2-fluoro-6-nitrophenyl)methyl]-3-(phenoxymethyl)piperidine
CID 86972286
1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
CID 81309720

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 86960667) is 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1Cc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is PRLORZGBYQSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c14-10-2-1-3-11(17(20)21)9(10)6-16-12(18)7-15(13(16)19)8-4-5-8/h1-3,8H,4-7H2.
What are the key properties of 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione?
1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 293.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-fluoro-6-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86960667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).