1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea

C14H21Cl2N2O4P — CID 547585

IUPAC1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
SMILESCCOP(=O)(OCC)C(C)(C)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H21Cl2N2O4P/c1-5-21-23(20,22-6-2)14(3,4)18-13(19)17-12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyQPUCUGVFGANAOY-UHFFFAOYSA-N
MW383.21 g/mol
LogP5.12
Rot. Bonds7

About 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea

1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea (PubChem CID 547585) has the molecular formula C14H21Cl2N2O4P and a molecular weight of 383.21 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
PubChem CID547585
Molecular FormulaC14H21Cl2N2O4P
Molecular Weight383.21 g/mol
Exact Mass382.06
IUPAC Name1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
SMILESCCOP(=O)(OCC)C(C)(C)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H21Cl2N2O4P/c1-5-21-23(20,22-6-2)14(3,4)18-13(19)17-12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyQPUCUGVFGANAOY-UHFFFAOYSA-N
XLogP5.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.21
LogP ≤ 55.12
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-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea
CID 7241460
1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
CID 10066373
1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
CID 10470871
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
N-(3,5-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62173126
1-(2-aminobutyl)-3-(3,5-dichlorophenyl)urea
CID 107654102
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 107368764
3-[(3-chloro-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107368755
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea (CID 547585) is 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea is CCOP(=O)(OCC)C(C)(C)NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea?
The InChIKey is QPUCUGVFGANAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N2O4P/c1-5-21-23(20,22-6-2)14(3,4)18-13(19)17-12-8-10(15)7-11(16)9-12/h7-9H,5-6H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea?
1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea has a molecular weight of 383.21 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea is sourced from PubChem (CID 547585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).