2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone

C26H20Cl2NO2P — CID 101360126

IUPAC2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone
SMILESO=C(c1ccccc1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H20Cl2NO2P/c27-23-17-16-20(18-24(23)28)25(26(30)19-10-4-1-5-11-19)29-32(31,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18,25H,(H,29,31)
InChIKeyASMVPWSMNDGURO-UHFFFAOYSA-N
MW480.33 g/mol
LogP6.44
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone

2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone (PubChem CID 101360126) has the molecular formula C26H20Cl2NO2P and a molecular weight of 480.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone
PubChem CID101360126
Molecular FormulaC26H20Cl2NO2P
Molecular Weight480.33 g/mol
Exact Mass479.06
IUPAC Name2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone
SMILESO=C(c1ccccc1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H20Cl2NO2P/c27-23-17-16-20(18-24(23)28)25(26(30)19-10-4-1-5-11-19)29-32(31,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18,25H,(H,29,31)
InChIKeyASMVPWSMNDGURO-UHFFFAOYSA-N
XLogP6.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.33
LogP ≤ 56.44
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-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide
CID 121264483
N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
CID 22405750
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
CID 130288420
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline
CID 39921399
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone
CID 18701482
(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone
CID 87812980

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone (CID 101360126) is 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone is O=C(c1ccccc1)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone?
The InChIKey is ASMVPWSMNDGURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2NO2P/c27-23-17-16-20(18-24(23)28)25(26(30)19-10-4-1-5-11-19)29-32(31,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18,25H,(H,29,31).
What are the key properties of 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone?
2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone has a molecular weight of 480.33 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(diphenylphosphorylamino)-1-phenylethanone is sourced from PubChem (CID 101360126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).