4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline

C14H9Br2N3O4 — CID 175624339

IUPAC4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline
SMILESC=CN(c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9Br2N3O4/c1-2-17(11-5-3-9(15)7-13(11)18(20)21)12-6-4-10(16)8-14(12)19(22)23/h2-8H,1H2
InChIKeyOQWFYVXFZVLIRD-UHFFFAOYSA-N
MW443.05 g/mol
LogP5.31
Rot. Bonds5

About 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline

4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline (PubChem CID 175624339) has the molecular formula C14H9Br2N3O4 and a molecular weight of 443.05 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline
PubChem CID175624339
Molecular FormulaC14H9Br2N3O4
Molecular Weight443.05 g/mol
Exact Mass440.90
IUPAC Name4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline
SMILESC=CN(c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H9Br2N3O4/c1-2-17(11-5-3-9(15)7-13(11)18(20)21)12-6-4-10(16)8-14(12)19(22)23/h2-8H,1H2
InChIKeyOQWFYVXFZVLIRD-UHFFFAOYSA-N
XLogP5.31
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.05
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-nitrophenyl)-N-methylnitrous amide
CID 131861820
4-bromo-N-methyl-N-(3-methylbutan-2-yl)-2-nitroaniline
CID 63463016
4-bromo-N-(2,2-dimethylpropyl)-N-methyl-2-nitroaniline
CID 63463828
4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
CID 115658423
4-bromo-N-ethyl-N-(4-fluorophenyl)-2-nitroaniline
CID 63462693
4-bromo-N,N-bis(2-methoxyethyl)-2-nitroaniline
CID 60647488
(2R)-2-(4-bromo-N-methyl-2-nitroanilino)propan-1-ol
CID 97020173
(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine
CID 114385733
4-bromo-1-but-3-enoxy-2-nitrobenzene
CID 61374931
4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene
CID 140870774
2-[4-bromo-2-nitro-N-(oxan-4-yl)anilino]acetaldehyde
CID 122587142
4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-2-nitroaniline
CID 63462025

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline?
The IUPAC name of 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline (CID 175624339) is 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline?
The canonical SMILES for 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline is C=CN(c1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline?
The InChIKey is OQWFYVXFZVLIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O4/c1-2-17(11-5-3-9(15)7-13(11)18(20)21)12-6-4-10(16)8-14(12)19(22)23/h2-8H,1H2.
What are the key properties of 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline?
4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline has a molecular weight of 443.05 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline is sourced from PubChem (CID 175624339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).