N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C18H19FN4O6 — CID 7800674

IUPACN-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
InChIInChI=1S/C18H19FN4O6/c1-10-4-2-3-5-14(10)22-17(26)16(25)21(18(22)27)9-15(24)20-13-8-11(23(28)29)6-7-12(13)19/h6-8,10,14H,2-5,9H2,1H3,(H,20,24)/t10-,14-/m1/s1
InChIKeyYNDHKWNKLOUGTI-QMTHXVAHSA-N
MW406.37 g/mol
LogP2.04
Rot. Bonds5

About N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7800674) has the molecular formula C18H19FN4O6 and a molecular weight of 406.37 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7800674
Molecular FormulaC18H19FN4O6
Molecular Weight406.37 g/mol
Exact Mass406.13
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
InChIInChI=1S/C18H19FN4O6/c1-10-4-2-3-5-14(10)22-17(26)16(25)21(18(22)27)9-15(24)20-13-8-11(23(28)29)6-7-12(13)19/h6-8,10,14H,2-5,9H2,1H3,(H,20,24)/t10-,14-/m1/s1
InChIKeyYNDHKWNKLOUGTI-QMTHXVAHSA-N
XLogP2.04
TPSA129.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

N-(2,5-difluorophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799757
N-(5-chloro-2-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799669
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7800668
2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7800627
N-(5-chloro-2-methylphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800369
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2489578
N-(2-chloro-4-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800427
N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800623
N-(2,4-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800530
N-(2,4-dimethylphenyl)-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800531
N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 39951715
N-(2,6-dimethylphenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800366

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7800674) is N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is YNDHKWNKLOUGTI-QMTHXVAHSA-N. The full InChI is InChI=1S/C18H19FN4O6/c1-10-4-2-3-5-14(10)22-17(26)16(25)21(18(22)27)9-15(24)20-13-8-11(23(28)29)6-7-12(13)19/h6-8,10,14H,2-5,9H2,1H3,(H,20,24)/t10-,14-/m1/s1.
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 406.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7800674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).