5-chloro-N-(2-methylphenyl)-2-nitrosoaniline

C13H11ClN2O — CID 139217311

IUPAC5-chloro-N-(2-methylphenyl)-2-nitrosoaniline
SMILESCc1ccccc1Nc1cc(Cl)ccc1N=O
InChIInChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)15-13-8-10(14)6-7-12(13)16-17/h2-8,15H,1H3
InChIKeyAELRBNLGXQZLHP-UHFFFAOYSA-N
MW246.70 g/mol
LogP4.79
Rot. Bonds3

About 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline

5-chloro-N-(2-methylphenyl)-2-nitrosoaniline (PubChem CID 139217311) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline.

Molecular Properties

Compound Name5-chloro-N-(2-methylphenyl)-2-nitrosoaniline
PubChem CID139217311
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name5-chloro-N-(2-methylphenyl)-2-nitrosoaniline
SMILESCc1ccccc1Nc1cc(Cl)ccc1N=O
InChIInChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)15-13-8-10(14)6-7-12(13)16-17/h2-8,15H,1H3
InChIKeyAELRBNLGXQZLHP-UHFFFAOYSA-N
XLogP4.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-nitroso-N-phenylaniline
CID 121009978
5-chloro-N-(4-methylphenyl)-2-nitrosoaniline
CID 135023572
5-chloro-2-methyl-3-N-(2-methylphenyl)benzene-1,3-diamine
CID 154647622
6-chloro-1-N-(2-methylphenyl)naphthalene-1,4-diamine
CID 86577123
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
2,4,5-trimethyl-N-(2-methylphenyl)aniline
CID 142357624
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
4-chloro-2-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 113315599
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
CID 57056849
1-N-(2-bromo-5-chlorophenyl)-3-methylbenzene-1,2-diamine
CID 114041326
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline?
The IUPAC name of 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline (CID 139217311) is 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline.
What is the SMILES notation for 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline?
The canonical SMILES for 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline is Cc1ccccc1Nc1cc(Cl)ccc1N=O.
What is the InChIKey of 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline?
The InChIKey is AELRBNLGXQZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)15-13-8-10(14)6-7-12(13)16-17/h2-8,15H,1H3.
What are the key properties of 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline?
5-chloro-N-(2-methylphenyl)-2-nitrosoaniline has a molecular weight of 246.70 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylphenyl)-2-nitrosoaniline is sourced from PubChem (CID 139217311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).