2-(4-(3,5-Dichlorophenylureido)phenoxy)-2-methylpropionic acid

HCID 195347CAS 121809-80-1

Basic information

Standard SMILES
CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O
InChIKey
OYJPTSMWFKGZJM-UHFFFAOYSA-N
Molecular formula
C17H16Cl2N2O4
Average molar mass
383.2 g/mol
Monoisotopic mass
382.04871235

Names & identifiers

Preferred name
2-(4-(3,5-Dichlorophenylureido)phenoxy)-2-methylpropionic acid
IUPAC
2-[4-[(3,5-dichlorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
English name
L 35
Molecular formula
C17H16Cl2N2O4
Molecular weight
383.23

Names & synonyms

2-(4-(3,5-Dichlorophenylureido)phenoxy)-2-methylpropionic acid2-[4-(3,5-dichlorophenylureido)phenoxy]-2-methylpropionic acidRefChem:1975853,5-trichlorophenylureido-phenoxy-methylpropionic acid121809-80-12-[4-[(3,5-dichlorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACIDL 35PS3UC84IQA2-(4-{[(3,5-dichlorophenyl)carbamoyl]amino}phenoxy)-2-methylpropanoic acidL-35L35
Show more names
Propanoic acid, 2-[4-[[[(3,5-dichlorophenyl)amino]carbonyl]amino]phenoxy]-2-methyl-2-(4-((((3,5-DICHLOROPHENYL)AMINO)CARBONYL)AMINO)PHENOXY)-2-METHYLPROPANOIC ACID2-(4-((3,5-DICHLOROPHENYL)CARBAMOYLAMINO)PHENOXY)-2-METHYLPROPANOIC ACIDOYJPTSMWFKGZJM-UHFFFAOYSA-NPROPANOIC ACID, 2-(4-((((3,5-DICHLOROPHENYL)AMINO)CARBONYL)AMINO)PHENOXY)-2-METHYL-UNII-PS3UC84IQACHEMBL76029orb1696729

Database identifiers

CAS
121809-80-1
PubChem CID
195347
DTXSID
DTXSID70153370
ChEMBL
CHEMBL76029
UNII
PS3UC84IQA
Nikkaji
J374.338A

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
87.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point
182 · 182-183 °C(Solvent: Ethanol)
Boiling point
455.9 · 455.9±45.0 °C(predicted)
Density
1.462 · 1.462±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
storage temp.
-196 °C · -196°C
pka
3.3 · 3.30±0.10(predicted)
biological source
Porcine blood

Chemistry & industry

Upstream & downstream products

Suppliers3 total

上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

Related reactions

7 records

Linked notes

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