Basic information
- CAS
103015-79-8- Standard SMILES
O=C(NC(=O)c1c(F)cccc1Cl)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl- InChIKey
AHUYWUJHVFFXIY-UHFFFAOYSA-N- Molecular formula
- C17H8Cl3F7N2O3
- Average molar mass
- 527.6 g/mol
- Monoisotopic mass
- 525.948872
Names & identifiers
- Preferred name
- 2-Chloro-N-((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)carbamoyl)-6-fluorobenzamide
- IUPAC
- 2-chloro-N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-6-fluorobenzamide
- English name
- Benzamide, 2-chloro-N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-6-fluoro-
- Molecular formula
- C17H8Cl3F7N2O3
- Molecular weight
- 527.6
Names & synonyms
103015-79-8Lufenuron EP Impurity E39NL422AQS2-Chloro-N-((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)carbamoyl)-6-fluorobenzamide1-(2-Chloro-6-fluorobenzoyl)-3-(2,5-dichloro-4-((2RS)-1,1,2,3,3,3-hexafluoropropoxy)phenyl)urea2-Chloro-N-(((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-6-fluorobenzamideBenzamide, 2-chloro-N-(((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-6-fluoro-Benzamide,2-chloro-N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-6-fluoro-UNII-39NL422AQSLufenuron for veterinary use impurity E [EP]LUFENURON FOR VETERINARY USE IMPURITY E [EP IMPURITY]1-(2-chloro-6-fluorobenzoyl)-3-[2,5-dichloro-4-[(2RS)- 1,1,2,3,3,3hexafluoropropoxy]phenyl]urea
Show more names
1-(2-Chloro-6-fluorobenzoyl)-3-[2,5-dichloro-4-[(2RS)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]urea,N-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl- aminocarbonyl)-2-chloro-6-fluoro-benzamide
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 688
Physicochemical properties
- Density
- 1.643 · 1.643±0.06 g/cm3(Predicted)
- pka
- 8.68 · 8.68±0.46(Predicted)
- FDA UNII
- 39 NL422AQS · 39NL422AQS
Chemistry & industry
Suppliers5 total
北京欣恒研科技有限公司010-56034419 13426091577 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
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Compound notes
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