3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide

C17H16BrN3O2 — CID 110666688

IUPAC3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCNC2=O)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrN3O2/c18-13-4-1-3-12(11-13)16(22)20-14-5-7-15(8-6-14)21-10-2-9-19-17(21)23/h1,3-8,11H,2,9-10H2,(H,19,23)(H,20,22)
InChIKeyAQPOCIJFOUDOTH-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.62
Rot. Bonds3

About 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide

3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide (PubChem CID 110666688) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
PubChem CID110666688
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCNC2=O)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrN3O2/c18-13-4-1-3-12(11-13)16(22)20-14-5-7-15(8-6-14)21-10-2-9-19-17(21)23/h1,3-8,11H,2,9-10H2,(H,19,23)(H,20,22)
InChIKeyAQPOCIJFOUDOTH-UHFFFAOYSA-N
XLogP3.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666698
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110666657
3-(dimethylamino)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299898
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51300167
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
CID 110666666
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
4-bromo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 51300206
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
CID 110666649

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide (CID 110666688) is 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCNC2=O)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The InChIKey is AQPOCIJFOUDOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c18-13-4-1-3-12(11-13)16(22)20-14-5-7-15(8-6-14)21-10-2-9-19-17(21)23/h1,3-8,11H,2,9-10H2,(H,19,23)(H,20,22).
What are the key properties of 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide has a molecular weight of 374.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide is sourced from PubChem (CID 110666688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).