4,5-dichloro-2-nitro-N-phenylaniline

C12H8Cl2N2O2 — CID 12930158

IUPAC4,5-dichloro-2-nitro-N-phenylaniline
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1Nc1ccccc1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-6-11(12(16(17)18)7-10(9)14)15-8-4-2-1-3-5-8/h1-7,15H
InChIKeyQXHGNUXZYJKPIN-UHFFFAOYSA-N
MW283.11 g/mol
LogP4.65
Rot. Bonds3

About 4,5-dichloro-2-nitro-N-phenylaniline

4,5-dichloro-2-nitro-N-phenylaniline (PubChem CID 12930158) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 4,5-dichloro-2-nitro-N-phenylaniline.

Molecular Properties

Compound Name4,5-dichloro-2-nitro-N-phenylaniline
PubChem CID12930158
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name4,5-dichloro-2-nitro-N-phenylaniline
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1Nc1ccccc1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-6-11(12(16(17)18)7-10(9)14)15-8-4-2-1-3-5-8/h1-7,15H
InChIKeyQXHGNUXZYJKPIN-UHFFFAOYSA-N
XLogP4.65
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 54.65
H-Bond Donors ≤ 51
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

5-chloro-2,4-dinitro-N-phenylaniline
CID 22749530
5-chloro-4-methyl-2-nitro-N-phenylaniline
CID 67032404
5-chloro-4-methylsulfonyl-2-nitro-N-phenylaniline
CID 173210014
5-chloro-2,4-dinitro-N-(4-nitrophenyl)aniline
CID 70682761
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
sodium 2,4-dianilino-5-nitrobenzenesulfonate
CID 21233384
4-anilino-3-nitrobenzoic acid
CID 3824366
carbon dioxide;4-methyl-2-nitro-N-phenylaniline
CID 91236628
(4,5-dichloro-2-nitrophenyl)hydrazine;hydrochloride
CID 141488652
N,N'-bis(4,5-dichloro-2-nitrophenyl)ethane-1,2-diamine
CID 91716539
4,5-dichloro-N-methyl-2-nitroaniline;methanamine
CID 159967035
4-anilino-N-(5-chloro-2,4-dimethoxyphenyl)-3-nitrobenzamide
CID 24570934

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-nitro-N-phenylaniline?
The IUPAC name of 4,5-dichloro-2-nitro-N-phenylaniline (CID 12930158) is 4,5-dichloro-2-nitro-N-phenylaniline.
What is the SMILES notation for 4,5-dichloro-2-nitro-N-phenylaniline?
The canonical SMILES for 4,5-dichloro-2-nitro-N-phenylaniline is O=[N+]([O-])c1cc(Cl)c(Cl)cc1Nc1ccccc1.
What is the InChIKey of 4,5-dichloro-2-nitro-N-phenylaniline?
The InChIKey is QXHGNUXZYJKPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-9-6-11(12(16(17)18)7-10(9)14)15-8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of 4,5-dichloro-2-nitro-N-phenylaniline?
4,5-dichloro-2-nitro-N-phenylaniline has a molecular weight of 283.11 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-nitro-N-phenylaniline is sourced from PubChem (CID 12930158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).