N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

C16H21ClFN3O2 — CID 4976766

IUPACN-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCC1NC(=O)NC1CCCCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H21ClFN3O2/c1-10-14(21-16(23)19-10)5-3-2-4-6-15(22)20-11-7-8-13(18)12(17)9-11/h7-10,14H,2-6H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyWBVZVKAMQLVYTF-UHFFFAOYSA-N
MW341.81 g/mol
LogP3.44
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide

N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (PubChem CID 4976766) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
PubChem CID4976766
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
SMILESCC1NC(=O)NC1CCCCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H21ClFN3O2/c1-10-14(21-16(23)19-10)5-3-2-4-6-15(22)20-11-7-8-13(18)12(17)9-11/h7-10,14H,2-6H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyWBVZVKAMQLVYTF-UHFFFAOYSA-N
XLogP3.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 53.44
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-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide (CID 4976766) is N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
The InChIKey is WBVZVKAMQLVYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-10-14(21-16(23)19-10)5-3-2-4-6-15(22)20-11-7-8-13(18)12(17)9-11/h7-10,14H,2-6H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide?
N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide has a molecular weight of 341.81 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide is sourced from PubChem (CID 4976766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).