N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine

C13H9ClN2O4 — CID 1476960

IUPACN-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1cc(C=NO)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O4/c14-10-2-4-11(5-3-10)20-13-6-1-9(8-15-17)7-12(13)16(18)19/h1-8,17H
InChIKeyYLNZFESKUMZQTK-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.85
Rot. Bonds4

About N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine

N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine (PubChem CID 1476960) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine
PubChem CID1476960
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC NameN-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1cc(C=NO)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O4/c14-10-2-4-11(5-3-10)20-13-6-1-9(8-15-17)7-12(13)16(18)19/h1-8,17H
InChIKeyYLNZFESKUMZQTK-UHFFFAOYSA-N
XLogP3.85
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
CID 20987314
4-(3-chloro-4-fluorophenoxy)-3-nitrobenzaldehyde
CID 9281846
(NZ)-N-[(3-chloro-4-nitrophenyl)methylidene]hydroxylamine
CID 91620003
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
N-(5-chloro-2-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126209083
4-(4-chloro-3-fluorophenoxy)-3-nitrobenzaldehyde
CID 82716350
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3951900
(NZ)-N-[[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
CID 126083188
2-(4-chlorophenoxy)-5-nitrophenol
CID 150663089
N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9359465
[4-(4-chlorophenoxy)-3-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 2743488

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine (CID 1476960) is N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine is O=[N+]([O-])c1cc(C=NO)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine?
The InChIKey is YLNZFESKUMZQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-10-2-4-11(5-3-10)20-13-6-1-9(8-15-17)7-12(13)16(18)19/h1-8,17H.
What are the key properties of N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine?
N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine has a molecular weight of 292.68 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 1476960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).