1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea

C16H19N2O4P — CID 91440895

IUPAC1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea
SMILESCOP(=O)(OC)c1ccccc1CNC(=O)Nc1ccccc1
InChIInChI=1S/C16H19N2O4P/c1-21-23(20,22-2)15-11-7-6-8-13(15)12-17-16(19)18-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H2,17,18,19)
InChIKeyWEQSLGHCXLONGC-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.12
Rot. Bonds6

About 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea

1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea (PubChem CID 91440895) has the molecular formula C16H19N2O4P and a molecular weight of 334.31 g/mol. Its IUPAC name is 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea
PubChem CID91440895
Molecular FormulaC16H19N2O4P
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC Name1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea
SMILESCOP(=O)(OC)c1ccccc1CNC(=O)Nc1ccccc1
InChIInChI=1S/C16H19N2O4P/c1-21-23(20,22-2)15-11-7-6-8-13(15)12-17-16(19)18-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H2,17,18,19)
InChIKeyWEQSLGHCXLONGC-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-[(2-dimethoxyphosphorylphenyl)methyl]urea
CID 91201895
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-phenylurea
CID 110641908
methyl 4-[(2-bromophenyl)methylcarbamoylamino]benzoate
CID 108897938
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317

Frequently Asked Questions

What is the IUPAC name of 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea (CID 91440895) is 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea is COP(=O)(OC)c1ccccc1CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea?
The InChIKey is WEQSLGHCXLONGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2O4P/c1-21-23(20,22-2)15-11-7-6-8-13(15)12-17-16(19)18-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea?
1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea has a molecular weight of 334.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-dimethoxyphosphorylphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 91440895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).