N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide

C15H13BrN2O3 — CID 108519610

IUPACN'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C15H13BrN2O3/c1-21-13-7-3-6-12(9-13)18-15(20)14(19)17-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyRRRMDSCQYSYDKM-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.03
Rot. Bonds3

About N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide

N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide (PubChem CID 108519610) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
PubChem CID108519610
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C15H13BrN2O3/c1-21-13-7-3-6-12(9-13)18-15(20)14(19)17-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyRRRMDSCQYSYDKM-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide
CID 17386382
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 2268249
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide (CID 108519610) is N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide?
The InChIKey is RRRMDSCQYSYDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-13-7-3-6-12(9-13)18-15(20)14(19)17-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide?
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide has a molecular weight of 349.18 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 108519610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).