N-(4-bromophenyl)-N-methyl-4-nitroaniline

C13H11BrN2O2 — CID 134433384

IUPACN-(4-bromophenyl)-N-methyl-4-nitroaniline
SMILESCN(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11BrN2O2/c1-15(11-4-2-10(14)3-5-11)12-6-8-13(9-7-12)16(17)18/h2-9H,1H3
InChIKeyFLXSQHUEHRJMBF-UHFFFAOYSA-N
MW307.15 g/mol
LogP4.13
Rot. Bonds3

About N-(4-bromophenyl)-N-methyl-4-nitroaniline

N-(4-bromophenyl)-N-methyl-4-nitroaniline (PubChem CID 134433384) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-4-nitroaniline
PubChem CID134433384
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-(4-bromophenyl)-N-methyl-4-nitroaniline
SMILESCN(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11BrN2O2/c1-15(11-4-2-10(14)3-5-11)12-6-8-13(9-7-12)16(17)18/h2-9H,1H3
InChIKeyFLXSQHUEHRJMBF-UHFFFAOYSA-N
XLogP4.13
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-bromo-4-nitrobenzene;ethane
CID 91498714
N-methyl-4-nitro-N-phenylaniline
CID 11287619
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413
3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103910103
N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 144959186
iodo-(N-methyl-4-nitroanilino)azanide
CID 163783585
5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103606995
N-(4-bromophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520963
2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine
CID 135155004
1-[(4-bromophenyl)-[(4-bromophenyl)-(4-nitrophenyl)methyl]sulfanylmethyl]-4-nitrobenzene
CID 141377983
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
3-bromo-N,N-dimethyl-5-(4-nitrophenyl)sulfonylaniline
CID 19605486

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-4-nitroaniline?
The IUPAC name of N-(4-bromophenyl)-N-methyl-4-nitroaniline (CID 134433384) is N-(4-bromophenyl)-N-methyl-4-nitroaniline.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-4-nitroaniline?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-4-nitroaniline is CN(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-4-nitroaniline?
The InChIKey is FLXSQHUEHRJMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-15(11-4-2-10(14)3-5-11)12-6-8-13(9-7-12)16(17)18/h2-9H,1H3.
What are the key properties of N-(4-bromophenyl)-N-methyl-4-nitroaniline?
N-(4-bromophenyl)-N-methyl-4-nitroaniline has a molecular weight of 307.15 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-4-nitroaniline is sourced from PubChem (CID 134433384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).