4-bromo-N-(2-methoxyphenyl)-2-nitroaniline

C13H11BrN2O3 — CID 63462508

IUPAC4-bromo-N-(2-methoxyphenyl)-2-nitroaniline
SMILESCOc1ccccc1Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11BrN2O3/c1-19-13-5-3-2-4-11(13)15-10-7-6-9(14)8-12(10)16(17)18/h2-8,15H,1H3
InChIKeyYQAOQUVUFFSFLO-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.11
Rot. Bonds4

About 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline

4-bromo-N-(2-methoxyphenyl)-2-nitroaniline (PubChem CID 63462508) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyphenyl)-2-nitroaniline
PubChem CID63462508
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name4-bromo-N-(2-methoxyphenyl)-2-nitroaniline
SMILESCOc1ccccc1Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11BrN2O3/c1-19-13-5-3-2-4-11(13)15-10-7-6-9(14)8-12(10)16(17)18/h2-8,15H,1H3
InChIKeyYQAOQUVUFFSFLO-UHFFFAOYSA-N
XLogP4.11
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375655
4-bromo-N-(4-bromo-2-nitrophenyl)-3-methoxyaniline
CID 82860136
5-bromo-N-(4-bromo-2-nitrophenyl)-2-methylaniline
CID 63464457
N-(4-bromo-2-nitrophenyl)-3-fluoro-2-methylaniline
CID 55193169
4-bromo-N-(4-methylphenyl)-2-nitroaniline
CID 63463973
4-bromo-N-(3,5-dimethylphenyl)-2-nitroaniline
CID 63462677
4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
CID 5486733
1-N-(2-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751307
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
N-(4-bromo-2-nitrophenyl)-2-fluoro-4-methylaniline
CID 63462666
4-(2,6-dimethylphenyl)-2-methoxy-N-(2-nitrophenyl)aniline
CID 176843400
N-(4-bromo-2-nitrophenyl)-2,4,6-trimethylaniline
CID 63462521

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline?
The IUPAC name of 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline (CID 63462508) is 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline.
What is the SMILES notation for 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline?
The canonical SMILES for 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline is COc1ccccc1Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline?
The InChIKey is YQAOQUVUFFSFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-19-13-5-3-2-4-11(13)15-10-7-6-9(14)8-12(10)16(17)18/h2-8,15H,1H3.
What are the key properties of 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline?
4-bromo-N-(2-methoxyphenyl)-2-nitroaniline has a molecular weight of 323.15 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyphenyl)-2-nitroaniline is sourced from PubChem (CID 63462508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).