N,N'-bis(2,4,6-tribromophenyl)oxamide

C14H6Br6N2O2 — CID 89438715

IUPACN,N'-bis(2,4,6-tribromophenyl)oxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)C(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H6Br6N2O2/c15-5-1-7(17)11(8(18)2-5)21-13(23)14(24)22-12-9(19)3-6(16)4-10(12)20/h1-4H,(H,21,23)(H,22,24)
InChIKeyNFEANVKURIPRMI-UHFFFAOYSA-N
MW713.64 g/mol
LogP6.84
Rot. Bonds2

About N,N'-bis(2,4,6-tribromophenyl)oxamide

N,N'-bis(2,4,6-tribromophenyl)oxamide (PubChem CID 89438715) has the molecular formula C14H6Br6N2O2 and a molecular weight of 713.64 g/mol. Its IUPAC name is N,N'-bis(2,4,6-tribromophenyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(2,4,6-tribromophenyl)oxamide
PubChem CID89438715
Molecular FormulaC14H6Br6N2O2
Molecular Weight713.64 g/mol
Exact Mass707.55
IUPAC NameN,N'-bis(2,4,6-tribromophenyl)oxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)C(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H6Br6N2O2/c15-5-1-7(17)11(8(18)2-5)21-13(23)14(24)22-12-9(19)3-6(16)4-10(12)20/h1-4H,(H,21,23)(H,22,24)
InChIKeyNFEANVKURIPRMI-UHFFFAOYSA-N
XLogP6.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.64
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-tribromophenyl)urea
CID 28991940
4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide
CID 101287009
2-chloro-N-(2,6-dibromo-4-chlorophenyl)prop-2-enamide
CID 131059733
2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
1,3-bis(2,6-dibromo-4-chlorophenyl)urea
CID 3259704
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
phosphoric acid;(2,4,6-tribromophenyl)hydrazine
CID 138620212
4-hydroxy-N-(2,4,6-tribromophenyl)pentanamide
CID 79201496
2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid
CID 61266732
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 43163865
2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
CID 114343907

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4,6-tribromophenyl)oxamide?
The IUPAC name of N,N'-bis(2,4,6-tribromophenyl)oxamide (CID 89438715) is N,N'-bis(2,4,6-tribromophenyl)oxamide.
What is the SMILES notation for N,N'-bis(2,4,6-tribromophenyl)oxamide?
The canonical SMILES for N,N'-bis(2,4,6-tribromophenyl)oxamide is O=C(Nc1c(Br)cc(Br)cc1Br)C(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N,N'-bis(2,4,6-tribromophenyl)oxamide?
The InChIKey is NFEANVKURIPRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br6N2O2/c15-5-1-7(17)11(8(18)2-5)21-13(23)14(24)22-12-9(19)3-6(16)4-10(12)20/h1-4H,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(2,4,6-tribromophenyl)oxamide?
N,N'-bis(2,4,6-tribromophenyl)oxamide has a molecular weight of 713.64 g/mol, XLogP of 6.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4,6-tribromophenyl)oxamide is sourced from PubChem (CID 89438715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).