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

C17H17BrN2O2 — CID 1181771

IUPAC2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O2/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)20-9-11-22-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyRQHAYVNLZSLSKV-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.54
Rot. Bonds3

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

2-bromo-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 1181771) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID1181771
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O2/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)20-9-11-22-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyRQHAYVNLZSLSKV-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.54
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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Related Compounds

2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
CID 110637633
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
2-bromo-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 2231786
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide
CID 1055999
2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519885
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide (CID 1181771) is 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is RQHAYVNLZSLSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c18-16-4-2-1-3-15(16)17(21)19-13-5-7-14(8-6-13)20-9-11-22-12-10-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide?
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 1181771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).