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

C17H16BrFN2O2 — CID 113092689

IUPAC4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O2/c18-13-3-1-12(2-4-13)17(22)20-15-11-14(19)5-6-16(15)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyGNCWPOGIJFDTGH-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.68
Rot. Bonds3

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

4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide (PubChem CID 113092689) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
PubChem CID113092689
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O2/c18-13-3-1-12(2-4-13)17(22)20-15-11-14(19)5-6-16(15)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyGNCWPOGIJFDTGH-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

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Related Compounds

4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
N-(5-fluoro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 113092678

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide (CID 113092689) is 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide is O=C(Nc1cc(F)ccc1N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide?
The InChIKey is GNCWPOGIJFDTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-13-3-1-12(2-4-13)17(22)20-15-11-14(19)5-6-16(15)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide?
4-bromo-N-(5-fluoro-2-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 4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 113092689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).