N',N'-bis(4-bromophenyl)oxamide

C14H10Br2N2O2 — CID 154267801

IUPACN',N'-bis(4-bromophenyl)oxamide
SMILESNC(=O)C(=O)N(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2N2O2/c15-9-1-5-11(6-2-9)18(14(20)13(17)19)12-7-3-10(16)4-8-12/h1-8H,(H2,17,19)
InChIKeyAXBZTVDPRSXWCQ-UHFFFAOYSA-N
MW398.05 g/mol
LogP3.36
Rot. Bonds2

About N',N'-bis(4-bromophenyl)oxamide

N',N'-bis(4-bromophenyl)oxamide (PubChem CID 154267801) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is N',N'-bis(4-bromophenyl)oxamide.

Molecular Properties

Compound NameN',N'-bis(4-bromophenyl)oxamide
PubChem CID154267801
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC NameN',N'-bis(4-bromophenyl)oxamide
SMILESNC(=O)C(=O)N(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2N2O2/c15-9-1-5-11(6-2-9)18(14(20)13(17)19)12-7-3-10(16)4-8-12/h1-8H,(H2,17,19)
InChIKeyAXBZTVDPRSXWCQ-UHFFFAOYSA-N
XLogP3.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(4-bromophenyl)urea;hydrochloride
CID 172731667
1-(4-bromophenyl)-1-nitrosourea
CID 86059761
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
(4-bromophenyl)urea
CID 16074
N'-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71246778
1-(4-bromophenyl)-3-methoxy-1-methylurea
CID 142707557
1-(4-bromophenyl)-1-hydroxy-3-methylurea
CID 15620447
N-(4-bromophenyl)-3,3-difluoropropanehydrazide
CID 175715890
N-(4-bromophenyl)-N-methyl-2-oxononanediamide
CID 70068849
4-[bis(4-bromophenyl)carbamoyl]-5-carbamoyl-2-hydroxybenzene-1,3-dicarboxylic acid
CID 54324891
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
methyl 2-[(4-bromo-N-methylanilino)methyl]butanoate
CID 115253055

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(4-bromophenyl)oxamide?
The IUPAC name of N',N'-bis(4-bromophenyl)oxamide (CID 154267801) is N',N'-bis(4-bromophenyl)oxamide.
What is the SMILES notation for N',N'-bis(4-bromophenyl)oxamide?
The canonical SMILES for N',N'-bis(4-bromophenyl)oxamide is NC(=O)C(=O)N(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of N',N'-bis(4-bromophenyl)oxamide?
The InChIKey is AXBZTVDPRSXWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c15-9-1-5-11(6-2-9)18(14(20)13(17)19)12-7-3-10(16)4-8-12/h1-8H,(H2,17,19).
What are the key properties of N',N'-bis(4-bromophenyl)oxamide?
N',N'-bis(4-bromophenyl)oxamide has a molecular weight of 398.05 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(4-bromophenyl)oxamide is sourced from PubChem (CID 154267801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).