4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline

C13H10Cl2N2O2 — CID 67905475

IUPAC4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
SMILESCN(c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N2O2/c1-16(11-5-2-9(14)3-6-11)12-7-4-10(15)8-13(12)17(18)19/h2-8H,1H3
InChIKeyIAJQZIVFDUGJJZ-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.67
Rot. Bonds3

About 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline

4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline (PubChem CID 67905475) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
PubChem CID67905475
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
SMILESCN(c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N2O2/c1-16(11-5-2-9(14)3-6-11)12-7-4-10(15)8-13(12)17(18)19/h2-8H,1H3
InChIKeyIAJQZIVFDUGJJZ-UHFFFAOYSA-N
XLogP4.67
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.67
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

N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide
CID 53401332
N-[3-(4-chloro-N,2-dinitroanilino)propyl]-N-(4-chloro-2-nitrophenyl)nitramide
CID 135083420
4-N-chloro-4-N-(4-chloro-2-nitrophenyl)benzene-1,2,4-triamine
CID 174912751
methyl 3-(4-chloro-N-methyl-2-nitroanilino)propanoate
CID 62005604
(4-chloro-2-nitro-N-nitrosoanilino) nitrate
CID 19994155
1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol
CID 153374065
methyl 3-(4-chloro-N-methyl-2-nitroanilino)-2-methylpropanoate
CID 62005975
4-(4-chloro-N-methyl-2-nitroanilino)butanoic acid
CID 43329711
N-(4-chlorophenyl)-4-(methoxymethoxy)-N-methyl-3-nitroaniline
CID 142715893
5-fluoro-N-(4-methoxyphenyl)-N-methyl-2,4-dinitroaniline
CID 11681314
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
4-[4-(hydroxymethyl)-N-methyl-2-nitroanilino]benzonitrile
CID 62980818

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline (CID 67905475) is 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline is CN(c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline?
The InChIKey is IAJQZIVFDUGJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-16(11-5-2-9(14)3-6-11)12-7-4-10(15)8-13(12)17(18)19/h2-8H,1H3.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline?
4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline has a molecular weight of 297.14 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline is sourced from PubChem (CID 67905475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).