N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine

C14H11ClN2O4 — CID 5073130

IUPACN-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O4/c1-21-13-6-5-10(8-12(13)17(19)20)14(16-18)9-3-2-4-11(15)7-9/h2-8,18H,1H3
InChIKeyNGGLVSFCJQMKCC-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.48
Rot. Bonds4

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

N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine (PubChem CID 5073130) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine
PubChem CID5073130
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC NameN-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O4/c1-21-13-6-5-10(8-12(13)17(19)20)14(16-18)9-3-2-4-11(15)7-9/h2-8,18H,1H3
InChIKeyNGGLVSFCJQMKCC-UHFFFAOYSA-N
XLogP3.48
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.48
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

2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 62505653
N-[2-(3-chlorophenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 27838571
[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 4856781
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
N-[[3-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 5034747
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
2-(2-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61056876
N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine
CID 139227482
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
(3-acetylphenyl) 4-methoxy-3-nitrobenzoate
CID 7924231
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine (CID 5073130) is N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine is COc1ccc(C(=NO)c2cccc(Cl)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is NGGLVSFCJQMKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-13-6-5-10(8-12(13)17(19)20)14(16-18)9-3-2-4-11(15)7-9/h2-8,18H,1H3.
What are the key properties of N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine?
N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine has a molecular weight of 306.71 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5073130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).