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

C14H13ClN2O2 — CID 102055883

IUPAC5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline
SMILESCCOc1ccc(Nc2cc(Cl)ccc2N=O)cc1
InChIInChI=1S/C14H13ClN2O2/c1-2-19-12-6-4-11(5-7-12)16-14-9-10(15)3-8-13(14)17-18/h3-9,16H,2H2,1H3
InChIKeyFFFRKRNCLJLFKM-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.88
Rot. Bonds5

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

5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline (PubChem CID 102055883) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline.

Molecular Properties

Compound Name5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline
PubChem CID102055883
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline
SMILESCCOc1ccc(Nc2cc(Cl)ccc2N=O)cc1
InChIInChI=1S/C14H13ClN2O2/c1-2-19-12-6-4-11(5-7-12)16-14-9-10(15)3-8-13(14)17-18/h3-9,16H,2H2,1H3
InChIKeyFFFRKRNCLJLFKM-UHFFFAOYSA-N
XLogP4.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2,4-dinitro-N-(4'-methoxyphenyl)aniline
CID 70691178
(5-Chloro-2-nitrophenyl)[2-(4-methoxyphenoxy)ethyl]amine
CID 2855802
2-[[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 4964680
(5-Chloro-2-nitrophenyl)[2-(3-methoxyphenoxy)ethyl]amine
CID 2855627
Butanamide, 2-(2-(4-chloro-2-nitrophenyl)diazenyl)-N-(4-ethoxyphenyl)-3-oxo-
CID 103621
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-nitroaniline
CID 2855013
3-Chloro-n-(4-methoxyphenyl)aniline
CID 227661
2-N-(3-chloro-4-methoxyphenyl)benzene-1,2-diamine
CID 29066464
4-Ethoxy-4'-nitrosodiphenylamine
CID 151482
N-(4-Methoxyphenyl)-2-nitroaniline
CID 618504
4-chloro-N-(4-methoxyphenyl)-2-nitroaniline
CID 4165703
Smssf-0625483
CID 21178335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline?
The IUPAC name of 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline (CID 102055883) is 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline.
What is the SMILES notation for 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline?
The canonical SMILES for 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline is CCOc1ccc(Nc2cc(Cl)ccc2N=O)cc1.
What is the InChIKey of 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline?
The InChIKey is FFFRKRNCLJLFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-2-19-12-6-4-11(5-7-12)16-14-9-10(15)3-8-13(14)17-18/h3-9,16H,2H2,1H3.
What are the key properties of 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline?
5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline has a molecular weight of 276.72 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethoxyphenyl)-2-nitrosoaniline is sourced from PubChem (CID 102055883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).