N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide

C13H14Br2N2O4 — CID 134834184

IUPACN-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)N2CCOCC2)c(Br)cc1Br
InChIInChI=1S/C13H14Br2N2O4/c1-20-11-7-10(8(14)6-9(11)15)16-12(18)13(19)17-2-4-21-5-3-17/h6-7H,2-5H2,1H3,(H,16,18)
InChIKeyWAHZYJJLWMHCTQ-UHFFFAOYSA-N
MW422.07 g/mol
LogP2.02
Rot. Bonds2

About N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide

N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 134834184) has the molecular formula C13H14Br2N2O4 and a molecular weight of 422.07 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide
PubChem CID134834184
Molecular FormulaC13H14Br2N2O4
Molecular Weight422.07 g/mol
Exact Mass419.93
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)N2CCOCC2)c(Br)cc1Br
InChIInChI=1S/C13H14Br2N2O4/c1-20-11-7-10(8(14)6-9(11)15)16-12(18)13(19)17-2-4-21-5-3-17/h6-7H,2-5H2,1H3,(H,16,18)
InChIKeyWAHZYJJLWMHCTQ-UHFFFAOYSA-N
XLogP2.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.07
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide
CID 108509448
2-morpholin-4-yl-2-oxo-N-(2-propan-2-yloxyphenyl)acetamide
CID 108984286
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
(3E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-morpholin-4-yl-2-oxoacetyl)hydrazinylidene]butanamide
CID 45034145
3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
CID 103412392
N-(2-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 550974
(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid
CID 139510840
methyl 4,5-dimethoxy-2-(morpholine-4-carbothioylamino)benzoate
CID 1253395
N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide
CID 17257113
(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide
CID 103413783
1-[(2,4-dibromo-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 103416460
1-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 103416292

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide (CID 134834184) is N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide is COc1cc(NC(=O)C(=O)N2CCOCC2)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is WAHZYJJLWMHCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O4/c1-20-11-7-10(8(14)6-9(11)15)16-12(18)13(19)17-2-4-21-5-3-17/h6-7H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide?
N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 422.07 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 134834184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).