1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea

C26H25N4O2P — CID 2337274

IUPAC1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@@H](c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C26H25N4O2P/c31-26(27-22-15-7-2-8-16-22)28-25(21-13-5-1-6-14-21)33(32,29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20,25H,(H2,27,28,31)(H2,29,30,32)/t25-/m1/s1
InChIKeyRRCQRSBSZYOLFS-RUZDIDTESA-N
MW456.49 g/mol
LogP6.92
Rot. Bonds8

About 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea

1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea (PubChem CID 2337274) has the molecular formula C26H25N4O2P and a molecular weight of 456.49 g/mol. Its IUPAC name is 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea
PubChem CID2337274
Molecular FormulaC26H25N4O2P
Molecular Weight456.49 g/mol
Exact Mass456.17
IUPAC Name1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@@H](c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C26H25N4O2P/c31-26(27-22-15-7-2-8-16-22)28-25(21-13-5-1-6-14-21)33(32,29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20,25H,(H2,27,28,31)(H2,29,30,32)/t25-/m1/s1
InChIKeyRRCQRSBSZYOLFS-RUZDIDTESA-N
XLogP6.92
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 56.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea
CID 100952143
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(3-chlorophenyl)-3-[diethoxyphosphoryl(phenyl)methyl]urea
CID 4037249
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
2-[(3-methylphenyl)carbamoylamino]-2-phenylacetamide
CID 17438270

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea (CID 2337274) is 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea is O=C(Nc1ccccc1)N[C@@H](c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea?
The InChIKey is RRCQRSBSZYOLFS-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25N4O2P/c31-26(27-22-15-7-2-8-16-22)28-25(21-13-5-1-6-14-21)33(32,29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20,25H,(H2,27,28,31)(H2,29,30,32)/t25-/m1/s1.
What are the key properties of 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea?
1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea has a molecular weight of 456.49 g/mol, XLogP of 6.92, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-dianilinophosphoryl(phenyl)methyl]-3-phenylurea is sourced from PubChem (CID 2337274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).