N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine

C15H14Cl2N2O — CID 86744462

IUPACN-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-7-8-12(16)15(14(9)17)18-13-6-4-3-5-11(13)10(2)19-20/h3-8,18,20H,1-2H3
InChIKeyRWQUDARXMHIWCY-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.24
Rot. Bonds3

About N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine

N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine (PubChem CID 86744462) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine
PubChem CID86744462
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-7-8-12(16)15(14(9)17)18-13-6-4-3-5-11(13)10(2)19-20/h3-8,18,20H,1-2H3
InChIKeyRWQUDARXMHIWCY-UHFFFAOYSA-N
XLogP5.24
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.20
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;hydrate
CID 23663959
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;dihydrate
CID 23702523
2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide
CID 57034426
2-(2,6-dichloro-3-methylanilino)benzenethiol
CID 137454964
bis(2-(2,6-dichloro-3-methylanilino)benzoic acid);4-pyridin-4-ylpyridine
CID 139145966
[2-(2,6-dichloro-3-methylanilino)phenyl]methanol
CID 15027375
2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid
CID 19842359
2-(2-carboxyanilino)-3-chloro-4-methylbenzoic acid
CID 21128606
azane;ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 70150385
butane;ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 70500245
acetic acid;2-(diethylamino)ethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 24752851

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine (CID 86744462) is N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccccc1Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine?
The InChIKey is RWQUDARXMHIWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-7-8-12(16)15(14(9)17)18-13-6-4-3-5-11(13)10(2)19-20/h3-8,18,20H,1-2H3.
What are the key properties of N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine?
N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine has a molecular weight of 309.20 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 86744462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).