2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline

C13H10Cl2N2O2 — CID 113459316

IUPAC2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline
SMILESCc1cccc(Cl)c1Nc1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N2O2/c1-8-4-2-5-9(14)12(8)16-11-7-3-6-10(15)13(11)17(18)19/h2-7,16H,1H3
InChIKeyTVBKSRWZJLOJHF-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.95
Rot. Bonds3

About 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline

2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline (PubChem CID 113459316) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline
PubChem CID113459316
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline
SMILESCc1cccc(Cl)c1Nc1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N2O2/c1-8-4-2-5-9(14)12(8)16-11-7-3-6-10(15)13(11)17(18)19/h2-7,16H,1H3
InChIKeyTVBKSRWZJLOJHF-UHFFFAOYSA-N
XLogP4.95
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.95
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

3-chloro-N-(4-chlorophenyl)-2-nitroaniline
CID 104838744
3-chloro-N-(2-methylsulfanylphenyl)-2-nitroaniline
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CID 104838746
1-N-(3-chloro-2-nitrophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 104839121
3-chloro-N-(3-chlorophenyl)-2-nitroaniline
CID 113459239
3-chloro-N-(4-methoxyphenyl)-2-nitroaniline
CID 71609935
3-chloro-N-(4-ethylphenyl)-2-nitroaniline
CID 113459244
2-(2-chloro-6-methylanilino)-4-nitrobenzoic acid
CID 66256865
5-(3-chloro-2-nitroanilino)-2-methylbenzoic acid
CID 104835176
4-N-(2-chloro-6-methylphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80832276
3-(3-chloro-2-nitroanilino)-2,3-dimethylbutan-2-ol
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3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline
CID 104838755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline?
The IUPAC name of 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline (CID 113459316) is 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline?
The canonical SMILES for 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline is Cc1cccc(Cl)c1Nc1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline?
The InChIKey is TVBKSRWZJLOJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-8-4-2-5-9(14)12(8)16-11-7-3-6-10(15)13(11)17(18)19/h2-7,16H,1H3.
What are the key properties of 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline?
2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline has a molecular weight of 297.14 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline is sourced from PubChem (CID 113459316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).