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

C17H16BrFN2O2 — CID 110613015

IUPAC3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H16BrFN2O2/c18-13-8-12(9-14(19)10-13)17(22)20-15-2-1-3-16(11-15)21-4-6-23-7-5-21/h1-3,8-11H,4-7H2,(H,20,22)
InChIKeyAUVZBFGTNDZVKO-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.68
Rot. Bonds3

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

3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 110613015) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID110613015
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H16BrFN2O2/c18-13-8-12(9-14(19)10-13)17(22)20-15-2-1-3-16(11-15)21-4-6-23-7-5-21/h1-3,8-11H,4-7H2,(H,20,22)
InChIKeyAUVZBFGTNDZVKO-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'}

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Related Compounds

3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
4-(1,3-dithiolan-2-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 75416504
N-(3-morpholin-4-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 67061305
3-bromo-5-fluoro-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 86956894
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide (CID 110613015) is 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide is O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is AUVZBFGTNDZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-13-8-12(9-14(19)10-13)17(22)20-15-2-1-3-16(11-15)21-4-6-23-7-5-21/h1-3,8-11H,4-7H2,(H,20,22).
What are the key properties of 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide?
3-bromo-5-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 3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 110613015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).