N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide

C14H10BrN3O4 — CID 108513373

IUPACN'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H10BrN3O4/c15-11-6-1-2-7-12(11)17-14(20)13(19)16-9-4-3-5-10(8-9)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyLDCXKLDPCLWOOM-UHFFFAOYSA-N
MW364.16 g/mol
LogP2.93
Rot. Bonds3

About N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide

N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide (PubChem CID 108513373) has the molecular formula C14H10BrN3O4 and a molecular weight of 364.16 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
PubChem CID108513373
Molecular FormulaC14H10BrN3O4
Molecular Weight364.16 g/mol
Exact Mass362.99
IUPAC NameN'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H10BrN3O4/c15-11-6-1-2-7-12(11)17-14(20)13(19)16-9-4-3-5-10(8-9)18(21)22/h1-8H,(H,16,19)(H,17,20)
InChIKeyLDCXKLDPCLWOOM-UHFFFAOYSA-N
XLogP2.93
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
2-[[2-(3-nitroanilino)-2-oxoacetyl]amino]benzoic acid
CID 3901813
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
CID 108513255
N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270507
2-methyl-N-(3-nitrophenyl)pent-2-enamide
CID 75895988

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide?
The IUPAC name of N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide (CID 108513373) is N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide?
The canonical SMILES for N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide?
The InChIKey is LDCXKLDPCLWOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O4/c15-11-6-1-2-7-12(11)17-14(20)13(19)16-9-4-3-5-10(8-9)18(21)22/h1-8H,(H,16,19)(H,17,20).
What are the key properties of N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide?
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide has a molecular weight of 364.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide is sourced from PubChem (CID 108513373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).