N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine

C11H15ClNO3P — CID 178074638

IUPACN-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine
SMILESCCOP(OCC)C(=NO)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClNO3P/c1-3-15-17(16-4-2)11(13-14)9-5-7-10(12)8-6-9/h5-8,14H,3-4H2,1-2H3
InChIKeyFQTLICYITOLHJK-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine

N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine (PubChem CID 178074638) has the molecular formula C11H15ClNO3P and a molecular weight of 275.67 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine
PubChem CID178074638
Molecular FormulaC11H15ClNO3P
Molecular Weight275.67 g/mol
Exact Mass275.05
IUPAC NameN-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine
SMILESCCOP(OCC)C(=NO)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClNO3P/c1-3-15-17(16-4-2)11(13-14)9-5-7-10(12)8-6-9/h5-8,14H,3-4H2,1-2H3
InChIKeyFQTLICYITOLHJK-UHFFFAOYSA-N
XLogP3.86
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(1Z)-4-[ethoxy(methyl)phosphanyl]-N-hydroxybenzenecarboximidoyl chloride
CID 144556121
4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide
CID 134102209
(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868
(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
CID 5358741
ethyl 2-(4-chlorobenzoyl)-3-oxobutanoate
CID 15047579
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684350
(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
CID 101018252
4-chloro-N,N'-dihydroxybenzenecarboximidamide
CID 165349472

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine?
The IUPAC name of N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine (CID 178074638) is N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine?
The canonical SMILES for N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine is CCOP(OCC)C(=NO)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine?
The InChIKey is FQTLICYITOLHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClNO3P/c1-3-15-17(16-4-2)11(13-14)9-5-7-10(12)8-6-9/h5-8,14H,3-4H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine?
N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine has a molecular weight of 275.67 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-diethoxyphosphanylmethylidene]hydroxylamine is sourced from PubChem (CID 178074638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).