3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline

C14H12Cl2N2O3 — CID 154125212

IUPAC3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline
SMILESCN(C)c1ccc([N+](=O)[O-])c(Cl)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3/c1-17(2)12-8-7-11(18(19)20)13(16)14(12)21-10-5-3-9(15)4-6-10/h3-8H,1-2H3
InChIKeyOARPUMFRZOBJDW-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.76
Rot. Bonds4

About 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline

3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline (PubChem CID 154125212) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline.

Molecular Properties

Compound Name3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline
PubChem CID154125212
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline
SMILESCN(C)c1ccc([N+](=O)[O-])c(Cl)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3/c1-17(2)12-8-7-11(18(19)20)13(16)14(12)21-10-5-3-9(15)4-6-10/h3-8H,1-2H3
InChIKeyOARPUMFRZOBJDW-UHFFFAOYSA-N
XLogP4.76
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.76
H-Bond Donors ≤ 50
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-(2,4-dichlorophenoxy)-N,N-dimethyl-2-nitroaniline
CID 13194931
5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475
2-(4-chlorophenoxy)-3-nitrobenzamide
CID 141017778
5-(4-chlorophenoxy)-N-ethyl-2-nitroaniline
CID 70521490
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
N,N-dimethyl-2-nitro-5-(3,4,5-trimethylphenoxy)aniline
CID 21137771
1,3-dichloro-2-(4-methoxy-3-propan-2-ylphenoxy)-4-nitrobenzene
CID 91056227
4-(5-chloro-2-nitrophenoxy)-N-methylaniline
CID 115471949
[6-(4-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80915190
3-fluoro-N,N,2-trimethyl-4-nitroaniline
CID 130865181
3-(4-chlorophenoxy)-4-nitropyridine
CID 21106908

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline?
The IUPAC name of 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline (CID 154125212) is 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline.
What is the SMILES notation for 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline?
The canonical SMILES for 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline is CN(C)c1ccc([N+](=O)[O-])c(Cl)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline?
The InChIKey is OARPUMFRZOBJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-17(2)12-8-7-11(18(19)20)13(16)14(12)21-10-5-3-9(15)4-6-10/h3-8H,1-2H3.
What are the key properties of 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline?
3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline has a molecular weight of 327.17 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline is sourced from PubChem (CID 154125212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).