1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea

C9H11ClFN2O2PS — CID 53443232

IUPAC1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea
SMILESCCP(O)(=S)NC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFN2O2PS/c1-2-16(15,17)13-9(14)12-6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3,(H3,12,13,14,15,17)
InChIKeyXHDDFIBWLWZIJX-UHFFFAOYSA-N
MW296.69 g/mol
LogP2.92
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea

1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea (PubChem CID 53443232) has the molecular formula C9H11ClFN2O2PS and a molecular weight of 296.69 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea
PubChem CID53443232
Molecular FormulaC9H11ClFN2O2PS
Molecular Weight296.69 g/mol
Exact Mass296.00
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea
SMILESCCP(O)(=S)NC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFN2O2PS/c1-2-16(15,17)13-9(14)12-6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3,(H3,12,13,14,15,17)
InChIKeyXHDDFIBWLWZIJX-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
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CID 108991877
1-(3-chloro-4-fluorophenyl)-3-propylthiourea
CID 8618876
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)urea
CID 47238015
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
CID 92864164
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea (CID 53443232) is 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea is CCP(O)(=S)NC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea?
The InChIKey is XHDDFIBWLWZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN2O2PS/c1-2-16(15,17)13-9(14)12-6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3,(H3,12,13,14,15,17).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea has a molecular weight of 296.69 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[ethyl(hydroxy)phosphinothioyl]urea is sourced from PubChem (CID 53443232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).