2-(diphenylphosphorylamino)-1,2-diphenylethanone

C26H22NO2P — CID 86012008

IUPAC2-(diphenylphosphorylamino)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22NO2P/c28-26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)27-30(29,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,(H,27,29)
InChIKeyYIONUSZKRYTWQP-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.13
Rot. Bonds7

About 2-(diphenylphosphorylamino)-1,2-diphenylethanone

2-(diphenylphosphorylamino)-1,2-diphenylethanone (PubChem CID 86012008) has the molecular formula C26H22NO2P and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-(diphenylphosphorylamino)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(diphenylphosphorylamino)-1,2-diphenylethanone
PubChem CID86012008
Molecular FormulaC26H22NO2P
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC Name2-(diphenylphosphorylamino)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22NO2P/c28-26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)27-30(29,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,(H,27,29)
InChIKeyYIONUSZKRYTWQP-UHFFFAOYSA-N
XLogP5.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(diphenylphosphorylamino)-1,2-diphenylethanone 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

2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone
CID 101360126
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
methyl 2-[(diphenylphosphorylamino)-(4-fluorophenyl)methyl]prop-2-enoate
CID 11407198
(2R,3R)-3-(diphenylphosphorylamino)-3-(furan-2-yl)-2-hydroxy-1-phenylpropan-1-one
CID 135055281
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
CID 6991228
2,2,2-trichloro-N-diphenylphosphoryl-1-phenylethanamine
CID 122369831
3-[(diphenylphosphorylamino)-(4-methoxyphenyl)methyl]but-3-en-2-one
CID 12024911
(2S,3S)-2-diphenylphosphoryl-1,3-diphenylbutan-1-one
CID 102000616

Frequently Asked Questions

What is the IUPAC name of 2-(diphenylphosphorylamino)-1,2-diphenylethanone?
The IUPAC name of 2-(diphenylphosphorylamino)-1,2-diphenylethanone (CID 86012008) is 2-(diphenylphosphorylamino)-1,2-diphenylethanone.
What is the SMILES notation for 2-(diphenylphosphorylamino)-1,2-diphenylethanone?
The canonical SMILES for 2-(diphenylphosphorylamino)-1,2-diphenylethanone is O=C(c1ccccc1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diphenylphosphorylamino)-1,2-diphenylethanone?
The InChIKey is YIONUSZKRYTWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO2P/c28-26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)27-30(29,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,(H,27,29).
What are the key properties of 2-(diphenylphosphorylamino)-1,2-diphenylethanone?
2-(diphenylphosphorylamino)-1,2-diphenylethanone has a molecular weight of 411.44 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylamino)-1,2-diphenylethanone is sourced from PubChem (CID 86012008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).