1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea

C21H19N2O3P — CID 100976540

IUPAC1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea
SMILESCc1ccc(NC(=O)N[C@H]2c3ccccc3O[P@]2(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19N2O3P/c1-15-11-13-16(14-12-15)22-21(24)23-20-18-9-5-6-10-19(18)26-27(20,25)17-7-3-2-4-8-17/h2-14,20H,1H3,(H2,22,23,24)/t20-,27-/m1/s1
InChIKeyAXLROKRNJHOKJZ-NFQMXDRXSA-N
MW378.37 g/mol
LogP4.81
Rot. Bonds3

About 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea

1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea (PubChem CID 100976540) has the molecular formula C21H19N2O3P and a molecular weight of 378.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea
PubChem CID100976540
Molecular FormulaC21H19N2O3P
Molecular Weight378.37 g/mol
Exact Mass378.11
IUPAC Name1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea
SMILESCc1ccc(NC(=O)N[C@H]2c3ccccc3O[P@]2(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19N2O3P/c1-15-11-13-16(14-12-15)22-21(24)23-20-18-9-5-6-10-19(18)26-27(20,25)17-7-3-2-4-8-17/h2-14,20H,1H3,(H2,22,23,24)/t20-,27-/m1/s1
InChIKeyAXLROKRNJHOKJZ-NFQMXDRXSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-[(4S,5S)-1,3-dimethyl-5-[(4-methylphenyl)carbamoylamino]-2-oxoimidazolidin-4-yl]-3-(4-methylphenyl)urea
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1-(4-chlorophenyl)-3-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]urea
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1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
CID 94052781

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea (CID 100976540) is 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea is Cc1ccc(NC(=O)N[C@H]2c3ccccc3O[P@]2(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea?
The InChIKey is AXLROKRNJHOKJZ-NFQMXDRXSA-N. The full InChI is InChI=1S/C21H19N2O3P/c1-15-11-13-16(14-12-15)22-21(24)23-20-18-9-5-6-10-19(18)26-27(20,25)17-7-3-2-4-8-17/h2-14,20H,1H3,(H2,22,23,24)/t20-,27-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea?
1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea has a molecular weight of 378.37 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(2R,3R)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-yl]urea is sourced from PubChem (CID 100976540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).