5-chloro-N-(4-methylphenyl)-2-nitrosoaniline

C13H11ClN2O — CID 135023572

IUPAC5-chloro-N-(4-methylphenyl)-2-nitrosoaniline
SMILESCc1ccc(Nc2cc(Cl)ccc2N=O)cc1
InChIInChI=1S/C13H11ClN2O/c1-9-2-5-11(6-3-9)15-13-8-10(14)4-7-12(13)16-17/h2-8,15H,1H3
InChIKeyOMGIEIGNILFCES-UHFFFAOYSA-N
MW246.70 g/mol
LogP4.79
Rot. Bonds3

About 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline

5-chloro-N-(4-methylphenyl)-2-nitrosoaniline (PubChem CID 135023572) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline.

Molecular Properties

Compound Name5-chloro-N-(4-methylphenyl)-2-nitrosoaniline
PubChem CID135023572
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name5-chloro-N-(4-methylphenyl)-2-nitrosoaniline
SMILESCc1ccc(Nc2cc(Cl)ccc2N=O)cc1
InChIInChI=1S/C13H11ClN2O/c1-9-2-5-11(6-3-9)15-13-8-10(14)4-7-12(13)16-17/h2-8,15H,1H3
InChIKeyOMGIEIGNILFCES-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline?
The IUPAC name of 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline (CID 135023572) is 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline.
What is the SMILES notation for 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline?
The canonical SMILES for 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline is Cc1ccc(Nc2cc(Cl)ccc2N=O)cc1.
What is the InChIKey of 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline?
The InChIKey is OMGIEIGNILFCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-2-5-11(6-3-9)15-13-8-10(14)4-7-12(13)16-17/h2-8,15H,1H3.
What are the key properties of 5-chloro-N-(4-methylphenyl)-2-nitrosoaniline?
5-chloro-N-(4-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-(4-methylphenyl)-2-nitrosoaniline is sourced from PubChem (CID 135023572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).