1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea

C14H22ClN2O4P — CID 10066373

IUPAC1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
SMILESCCOP(=O)(OCC)C(C)(C)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN2O4P/c1-5-20-22(19,21-6-2)14(3,4)17-13(18)16-12-9-7-11(15)8-10-12/h7-10H,5-6H2,1-4H3,(H2,16,17,18)
InChIKeyDSPHLSUIFOLHAX-UHFFFAOYSA-N
MW348.77 g/mol
LogP4.46
Rot. Bonds7

About 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea

1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea (PubChem CID 10066373) has the molecular formula C14H22ClN2O4P and a molecular weight of 348.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
PubChem CID10066373
Molecular FormulaC14H22ClN2O4P
Molecular Weight348.77 g/mol
Exact Mass348.10
IUPAC Name1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
SMILESCCOP(=O)(OCC)C(C)(C)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN2O4P/c1-5-20-22(19,21-6-2)14(3,4)17-13(18)16-12-9-7-11(15)8-10-12/h7-10H,5-6H2,1-4H3,(H2,16,17,18)
InChIKeyDSPHLSUIFOLHAX-UHFFFAOYSA-N
XLogP4.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 54.46
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-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
CID 547585
1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
CID 10470871
1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)thiourea
CID 11726317
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea
CID 7241460
1-(4-chlorophenyl)-3-diethoxyphosphorylthiourea
CID 14867421
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
1-(4-chlorophenyl)-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 94797935
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 47093325
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894361
ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate
CID 3811515

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea (CID 10066373) is 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea is CCOP(=O)(OCC)C(C)(C)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea?
The InChIKey is DSPHLSUIFOLHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN2O4P/c1-5-20-22(19,21-6-2)14(3,4)17-13(18)16-12-9-7-11(15)8-10-12/h7-10H,5-6H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea?
1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea has a molecular weight of 348.77 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea is sourced from PubChem (CID 10066373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).