N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C15H17FN4O5 — CID 3598099

IUPACN-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CC1NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
InChIInChI=1S/C15H17FN4O5/c1-8(2)5-12-14(22)19(15(23)18-12)7-13(21)17-11-6-9(20(24)25)3-4-10(11)16/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyYGESYUDMSAYBGR-UHFFFAOYSA-N
MW352.32 g/mol
LogP1.64
Rot. Bonds6

About N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3598099) has the molecular formula C15H17FN4O5 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID3598099
Molecular FormulaC15H17FN4O5
Molecular Weight352.32 g/mol
Exact Mass352.12
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CC1NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
InChIInChI=1S/C15H17FN4O5/c1-8(2)5-12-14(22)19(15(23)18-12)7-13(21)17-11-6-9(20(24)25)3-4-10(11)16/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyYGESYUDMSAYBGR-UHFFFAOYSA-N
XLogP1.64
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3598099) is N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)CC1NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is YGESYUDMSAYBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O5/c1-8(2)5-12-14(22)19(15(23)18-12)7-13(21)17-11-6-9(20(24)25)3-4-10(11)16/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,21)(H,18,23).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 352.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3598099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).