2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone

C27H24NO2P — CID 101360122

IUPAC2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
SMILESCc1ccc(C(NP(=O)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H24NO2P/c1-21-17-19-22(20-18-21)26(27(29)23-11-5-2-6-12-23)28-31(30,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,26H,1H3,(H,28,30)
InChIKeyMJRGJXLPXJYLNH-UHFFFAOYSA-N
MW425.47 g/mol
LogP5.44
Rot. Bonds7

About 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone

2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone (PubChem CID 101360122) has the molecular formula C27H24NO2P and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
PubChem CID101360122
Molecular FormulaC27H24NO2P
Molecular Weight425.47 g/mol
Exact Mass425.15
IUPAC Name2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
SMILESCc1ccc(C(NP(=O)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H24NO2P/c1-21-17-19-22(20-18-21)26(27(29)23-11-5-2-6-12-23)28-31(30,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,26H,1H3,(H,28,30)
InChIKeyMJRGJXLPXJYLNH-UHFFFAOYSA-N
XLogP5.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008
2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone
CID 101360126
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
methyl 2-[(diphenylphosphorylamino)-(4-fluorophenyl)methyl]prop-2-enoate
CID 11407198
3-[(diphenylphosphorylamino)-(4-methoxyphenyl)methyl]but-3-en-2-one
CID 12024911
(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)-2-nitroethanamine
CID 101018797
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
2,3-dibromo-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 11974529
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003

Frequently Asked Questions

What is the IUPAC name of 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone?
The IUPAC name of 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone (CID 101360122) is 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone.
What is the SMILES notation for 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone?
The canonical SMILES for 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone is Cc1ccc(C(NP(=O)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone?
The InChIKey is MJRGJXLPXJYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24NO2P/c1-21-17-19-22(20-18-21)26(27(29)23-11-5-2-6-12-23)28-31(30,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,26H,1H3,(H,28,30).
What are the key properties of 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone?
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone has a molecular weight of 425.47 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone is sourced from PubChem (CID 101360122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).