N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine

C23H19ClNO2P — CID 2324335

IUPACN-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(NCc2ccc(Cl)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H19ClNO2P/c24-21-13-11-18(12-14-21)15-25-28(26)16-22(19-7-3-1-4-8-19)27-23(17-28)20-9-5-2-6-10-20/h1-14,16-17H,15H2,(H,25,26)
InChIKeyNQYRESCDJIUBEG-UHFFFAOYSA-N
MW407.84 g/mol
LogP6.74
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine

N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (PubChem CID 2324335) has the molecular formula C23H19ClNO2P and a molecular weight of 407.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
PubChem CID2324335
Molecular FormulaC23H19ClNO2P
Molecular Weight407.84 g/mol
Exact Mass407.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(NCc2ccc(Cl)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H19ClNO2P/c24-21-13-11-18(12-14-21)15-25-28(26)16-22(19-7-3-1-4-8-19)27-23(17-28)20-9-5-2-6-10-20/h1-14,16-17H,15H2,(H,25,26)
InChIKeyNQYRESCDJIUBEG-UHFFFAOYSA-N
XLogP6.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.84
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (CID 2324335) is N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is O=P1(NCc2ccc(Cl)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The InChIKey is NQYRESCDJIUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClNO2P/c24-21-13-11-18(12-14-21)15-25-28(26)16-22(19-7-3-1-4-8-19)27-23(17-28)20-9-5-2-6-10-20/h1-14,16-17H,15H2,(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine has a molecular weight of 407.84 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is sourced from PubChem (CID 2324335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).