2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide

C25H27BrN3O2P — CID 130439169

IUPAC2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESO=P1(C(c2ccc(Br)cc2)N2CCOCC2)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C25H27BrN3O2P/c26-22-13-11-21(12-14-22)25(27-17-19-31-20-18-27)32(30)28(23-7-3-1-4-8-23)15-16-29(32)24-9-5-2-6-10-24/h1-14,25H,15-20H2
InChIKeyHNYFOTVAOKUMSP-UHFFFAOYSA-N
MW512.39 g/mol
LogP6.00
Rot. Bonds5

About 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide

2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 130439169) has the molecular formula C25H27BrN3O2P and a molecular weight of 512.39 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID130439169
Molecular FormulaC25H27BrN3O2P
Molecular Weight512.39 g/mol
Exact Mass511.10
IUPAC Name2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESO=P1(C(c2ccc(Br)cc2)N2CCOCC2)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C25H27BrN3O2P/c26-22-13-11-21(12-14-22)25(27-17-19-31-20-18-27)32(30)28(23-7-3-1-4-8-23)15-16-29(32)24-9-5-2-6-10-24/h1-14,25H,15-20H2
InChIKeyHNYFOTVAOKUMSP-UHFFFAOYSA-N
XLogP6.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide (CID 130439169) is 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide is O=P1(C(c2ccc(Br)cc2)N2CCOCC2)N(c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is HNYFOTVAOKUMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN3O2P/c26-22-13-11-21(12-14-22)25(27-17-19-31-20-18-27)32(30)28(23-7-3-1-4-8-23)15-16-29(32)24-9-5-2-6-10-24/h1-14,25H,15-20H2.
What are the key properties of 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 512.39 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 130439169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).