N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

C16H18BrFN2O3 — CID 2219854

IUPACN-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H18BrFN2O3/c17-11-5-6-13(12(18)10-11)19-14(21)4-2-1-3-9-20-15(22)7-8-16(20)23/h5-6,10H,1-4,7-9H2,(H,19,21)
InChIKeyOVGLDVHTGRJARG-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.24
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (PubChem CID 2219854) has the molecular formula C16H18BrFN2O3 and a molecular weight of 385.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
PubChem CID2219854
Molecular FormulaC16H18BrFN2O3
Molecular Weight385.23 g/mol
Exact Mass384.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H18BrFN2O3/c17-11-5-6-13(12(18)10-11)19-14(21)4-2-1-3-9-20-15(22)7-8-16(20)23/h5-6,10H,1-4,7-9H2,(H,19,21)
InChIKeyOVGLDVHTGRJARG-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (CID 2219854) is N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The InChIKey is OVGLDVHTGRJARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O3/c17-11-5-6-13(12(18)10-11)19-14(21)4-2-1-3-9-20-15(22)7-8-16(20)23/h5-6,10H,1-4,7-9H2,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide has a molecular weight of 385.23 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 2219854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).