5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide

C17H16BrFN2O2 — CID 87042473

IUPAC5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1cc(Br)ccc1F
InChIInChI=1S/C17H16BrFN2O2/c18-12-4-5-16(19)15(10-12)17(22)20-13-2-1-3-14(11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyRFBJHKHMUFJOOD-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide

5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 87042473) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID87042473
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1cc(Br)ccc1F
InChIInChI=1S/C17H16BrFN2O2/c18-12-4-5-16(19)15(10-12)17(22)20-13-2-1-3-14(11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyRFBJHKHMUFJOOD-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_I(4)', 'substructure': 'N/A'}

Analyze 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
N-(3-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71938580
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78906644
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide (CID 87042473) is 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide is O=C(Nc1cccc(N2CCOCC2)c1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is RFBJHKHMUFJOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-12-4-5-16(19)15(10-12)17(22)20-13-2-1-3-14(11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22).
What are the key properties of 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide?
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide 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 5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 87042473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).