N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine

C21H19ClNOP — CID 11089901

IUPACN-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine
SMILESC/C(CP(=O)(c1ccccc1)c1ccccc1)=N\c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClNOP/c1-17(23-19-14-12-18(22)13-15-19)16-25(24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16H2,1H3/b23-17+
InChIKeyZZNFWPJODJAJLF-HAVVHWLPSA-N
MW367.82 g/mol
LogP5.45
Rot. Bonds5

About N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine

N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine (PubChem CID 11089901) has the molecular formula C21H19ClNOP and a molecular weight of 367.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine
PubChem CID11089901
Molecular FormulaC21H19ClNOP
Molecular Weight367.82 g/mol
Exact Mass367.09
IUPAC NameN-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine
SMILESC/C(CP(=O)(c1ccccc1)c1ccccc1)=N\c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClNOP/c1-17(23-19-14-12-18(22)13-15-19)16-25(24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16H2,1H3/b23-17+
InChIKeyZZNFWPJODJAJLF-HAVVHWLPSA-N
XLogP5.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.82
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
CID 126613651
(NZ)-N-(1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
CID 102093434
(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
CID 10813717
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
CID 102143449
CID 102143449
3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
CID 4854669
2-bis(4-chlorophenyl)phosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135611775
ethyl 2-bis(4-chlorophenyl)phosphorylacetate
CID 1378711
3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one
CID 71346027
1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene
CID 132942198

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine?
The IUPAC name of N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine (CID 11089901) is N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine is C/C(CP(=O)(c1ccccc1)c1ccccc1)=N\c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine?
The InChIKey is ZZNFWPJODJAJLF-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H19ClNOP/c1-17(23-19-14-12-18(22)13-15-19)16-25(24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16H2,1H3/b23-17+.
What are the key properties of N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine?
N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine has a molecular weight of 367.82 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine is sourced from PubChem (CID 11089901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).