N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide

C23H23FN4O5 — CID 68620449

IUPACN-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(C#N)cc1F)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O
InChIInChI=1S/C23H23FN4O5/c1-13(2)20(21(30)26-18-8-3-14(12-25)11-17(18)24)28-22(31)19(27-23(28)32)15-4-6-16(7-5-15)33-10-9-29/h3-8,11,13,19-20,29H,9-10H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyCHMCTUUWKJWIQQ-UHFFFAOYSA-N
MW454.46 g/mol
LogP2.32
Rot. Bonds8

About N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide

N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide (PubChem CID 68620449) has the molecular formula C23H23FN4O5 and a molecular weight of 454.46 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide
PubChem CID68620449
Molecular FormulaC23H23FN4O5
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC NameN-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(C#N)cc1F)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O
InChIInChI=1S/C23H23FN4O5/c1-13(2)20(21(30)26-18-8-3-14(12-25)11-17(18)24)28-22(31)19(27-23(28)32)15-4-6-16(7-5-15)33-10-9-29/h3-8,11,13,19-20,29H,9-10H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyCHMCTUUWKJWIQQ-UHFFFAOYSA-N
XLogP2.32
TPSA131.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide (CID 68620449) is N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide is CC(C)C(C(=O)Nc1ccc(C#N)cc1F)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide?
The InChIKey is CHMCTUUWKJWIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5/c1-13(2)20(21(30)26-18-8-3-14(12-25)11-17(18)24)28-22(31)19(27-23(28)32)15-4-6-16(7-5-15)33-10-9-29/h3-8,11,13,19-20,29H,9-10H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide?
N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide has a molecular weight of 454.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide is sourced from PubChem (CID 68620449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).