N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide

C13H16BrClN2O3 — CID 47457508

IUPACN-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide
SMILESCOCCCN(C)C(=O)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O3/c1-17(6-3-7-20-2)13(19)12(18)16-11-5-4-9(14)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyZUTLTTJBVPRPPF-UHFFFAOYSA-N
MW363.64 g/mol
LogP2.54
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide

N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide (PubChem CID 47457508) has the molecular formula C13H16BrClN2O3 and a molecular weight of 363.64 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide
PubChem CID47457508
Molecular FormulaC13H16BrClN2O3
Molecular Weight363.64 g/mol
Exact Mass362.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide
SMILESCOCCCN(C)C(=O)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O3/c1-17(6-3-7-20-2)13(19)12(18)16-11-5-4-9(14)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyZUTLTTJBVPRPPF-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108516132
methyl 3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 62012088
N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62985316
2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid
CID 103237265
2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480249
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
CID 26239580
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049
1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide (CID 47457508) is N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide is COCCCN(C)C(=O)C(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide?
The InChIKey is ZUTLTTJBVPRPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O3/c1-17(6-3-7-20-2)13(19)12(18)16-11-5-4-9(14)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide?
N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide has a molecular weight of 363.64 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)-N'-methyloxamide is sourced from PubChem (CID 47457508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).