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

C17H16Br2N2O2 — CID 17220671

IUPAC2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C17H16Br2N2O2/c18-14-4-2-1-3-13(14)17(22)20-12-5-6-16(15(19)11-12)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyJELODGVVUYRFSR-UHFFFAOYSA-N
MW440.14 g/mol
LogP4.30
Rot. Bonds3

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

2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide (PubChem CID 17220671) has the molecular formula C17H16Br2N2O2 and a molecular weight of 440.14 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
PubChem CID17220671
Molecular FormulaC17H16Br2N2O2
Molecular Weight440.14 g/mol
Exact Mass437.96
IUPAC Name2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C17H16Br2N2O2/c18-14-4-2-1-3-13(14)17(22)20-12-5-6-16(15(19)11-12)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyJELODGVVUYRFSR-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.14
LogP ≤ 54.30
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-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 17220722
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 41156605
2-bromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412580
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-bromobenzamide
CID 110639876
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
dimethyl (E)-2-(3-bromo-4-morpholin-4-ylanilino)but-2-enedioate
CID 168570212
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide (CID 17220671) is 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide?
The InChIKey is JELODGVVUYRFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O2/c18-14-4-2-1-3-13(14)17(22)20-12-5-6-16(15(19)11-12)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide?
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide has a molecular weight of 440.14 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 17220671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).