N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide

C17H16BrFN2O2 — CID 1331328

IUPACN-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O2/c18-15-11-14(5-6-16(15)21-7-9-23-10-8-21)20-17(22)12-1-3-13(19)4-2-12/h1-6,11H,7-10H2,(H,20,22)
InChIKeyWIJHDYRCANXSQX-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.68
Rot. Bonds3

About N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide

N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide (PubChem CID 1331328) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide
PubChem CID1331328
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O2/c18-15-11-14(5-6-16(15)21-7-9-23-10-8-21)20-17(22)12-1-3-13(19)4-2-12/h1-6,11H,7-10H2,(H,20,22)
InChIKeyWIJHDYRCANXSQX-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide (CID 1331328) is N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide is O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide?
The InChIKey is WIJHDYRCANXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-15-11-14(5-6-16(15)21-7-9-23-10-8-21)20-17(22)12-1-3-13(19)4-2-12/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide?
N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide has a molecular weight of 379.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-morpholin-4-ylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 1331328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).