N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine

C20H17N2O3P — CID 150181858

IUPACN-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(C(CP(c2ccccc2)c2ccccc2)=NO)cc1
InChIInChI=1S/C20H17N2O3P/c23-21-20(16-11-13-17(14-12-16)22(24)25)15-26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15H2
InChIKeyFLPFWKHLDUALNC-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.91
Rot. Bonds6

About N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine

N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine (PubChem CID 150181858) has the molecular formula C20H17N2O3P and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
PubChem CID150181858
Molecular FormulaC20H17N2O3P
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC NameN-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(C(CP(c2ccccc2)c2ccccc2)=NO)cc1
InChIInChI=1S/C20H17N2O3P/c23-21-20(16-11-13-17(14-12-16)22(24)25)15-26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15H2
InChIKeyFLPFWKHLDUALNC-UHFFFAOYSA-N
XLogP3.91
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 71393953
(NE)-N-[2-methylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 102550829
N-[2-ethylsulfonyl-1-(4-nitrophenyl)ethylidene]hydroxylamine
CID 131849820
2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic acid
CID 2807540
2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
(NE)-N-[1-(4-nitrophenyl)-2-pyrrolidin-1-ylethylidene]hydroxylamine
CID 10014947
(2-hydroxyimino-2-phenylethyl) 2-[(4-nitrobenzoyl)amino]benzoate
CID 71950567
N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
CID 71951323
1,4-dinitrobenzene;nitrous acid
CID 174371180
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196

Frequently Asked Questions

What is the IUPAC name of N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine (CID 150181858) is N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine is O=[N+]([O-])c1ccc(C(CP(c2ccccc2)c2ccccc2)=NO)cc1.
What is the InChIKey of N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The InChIKey is FLPFWKHLDUALNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O3P/c23-21-20(16-11-13-17(14-12-16)22(24)25)15-26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15H2.
What are the key properties of N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine?
N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine has a molecular weight of 364.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-diphenylphosphanyl-1-(4-nitrophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 150181858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).