N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide

C18H18Br2N2O3 — CID 17220799

IUPACN-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C18H18Br2N2O3/c19-13-1-4-15(5-2-13)25-12-18(23)21-14-3-6-17(16(20)11-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyBGLJDHPZBTVXGO-UHFFFAOYSA-N
MW470.16 g/mol
LogP4.07
Rot. Bonds5

About N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide

N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide (PubChem CID 17220799) has the molecular formula C18H18Br2N2O3 and a molecular weight of 470.16 g/mol. Its IUPAC name is N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
PubChem CID17220799
Molecular FormulaC18H18Br2N2O3
Molecular Weight470.16 g/mol
Exact Mass467.97
IUPAC NameN-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C18H18Br2N2O3/c19-13-1-4-15(5-2-13)25-12-18(23)21-14-3-6-17(16(20)11-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyBGLJDHPZBTVXGO-UHFFFAOYSA-N
XLogP4.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 17220722
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide (CID 17220799) is N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide?
The InChIKey is BGLJDHPZBTVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O3/c19-13-1-4-15(5-2-13)25-12-18(23)21-14-3-6-17(16(20)11-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide?
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide has a molecular weight of 470.16 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 17220799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).