2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide

C22H22NO2P — CID 149362786

IUPAC2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@@H](CO)NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-17(16-24)23-22(25)20-14-8-9-15-21(20)26(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,24H,16H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyYIFVOVNNSYISKK-KRWDZBQOSA-N
MW363.40 g/mol
LogP2.56
Rot. Bonds6

About 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide

2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide (PubChem CID 149362786) has the molecular formula C22H22NO2P and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
PubChem CID149362786
Molecular FormulaC22H22NO2P
Molecular Weight363.40 g/mol
Exact Mass363.14
IUPAC Name2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@@H](CO)NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-17(16-24)23-22(25)20-14-8-9-15-21(20)26(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,24H,16H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyYIFVOVNNSYISKK-KRWDZBQOSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
N-[(2S)-1-(benzylsulfamoyl)propan-2-yl]-2-diphenylphosphanylbenzamide
CID 101213453
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420
2-diphenylphosphanyl-N-[(2S)-1-[[(1S,2S)-2-[[(2S)-2-[(2-diphenylphosphanylbenzoyl)amino]-3-methylbutyl]amino]cyclohexyl]amino]-3-methylbutan-2-yl]benzamide
CID 11593126
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide
CID 51041221
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide (CID 149362786) is 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide is C[C@@H](CO)NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is YIFVOVNNSYISKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22NO2P/c1-17(16-24)23-22(25)20-14-8-9-15-21(20)26(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,24H,16H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide has a molecular weight of 363.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 149362786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).