N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

C17H24FN3O2 — CID 4918562

IUPACN-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCc1c(F)cccc1NC(=O)CCCCCC1NC(=O)NC1C
InChIInChI=1S/C17H24FN3O2/c1-11-13(18)7-6-9-14(11)20-16(22)10-5-3-4-8-15-12(2)19-17(23)21-15/h6-7,9,12,15H,3-5,8,10H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyMGQBHVRGZCUQID-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.09
Rot. Bonds7

About N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (PubChem CID 4918562) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
PubChem CID4918562
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCc1c(F)cccc1NC(=O)CCCCCC1NC(=O)NC1C
InChIInChI=1S/C17H24FN3O2/c1-11-13(18)7-6-9-14(11)20-16(22)10-5-3-4-8-15-12(2)19-17(23)21-15/h6-7,9,12,15H,3-5,8,10H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyMGQBHVRGZCUQID-UHFFFAOYSA-N
XLogP3.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (CID 4918562) is N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is Cc1c(F)cccc1NC(=O)CCCCCC1NC(=O)NC1C.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The InChIKey is MGQBHVRGZCUQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-11-13(18)7-6-9-14(11)20-16(22)10-5-3-4-8-15-12(2)19-17(23)21-15/h6-7,9,12,15H,3-5,8,10H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide has a molecular weight of 321.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is sourced from PubChem (CID 4918562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).