Valeranilide, 2-chloro-3'-hydroxy-2-methyl-, methylcarbamate (ester)
Basic information
- CAS
17798-19-5- Standard SMILES
CCCC(C)(Cl)C(=O)Nc1cccc(OC(=O)NC)c1- InChIKey
SPJRLGBKRAHBQE-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O3
- Average molar mass
- 298.76 g/mol
- Monoisotopic mass
- 298.1084202
Names & identifiers
- Preferred name
- Valeranilide, 2-chloro-3'-hydroxy-2-methyl-, methylcarbamate (ester)
- IUPAC
- [3-[(2-chloro-2-methylpentanoyl)amino]phenyl] N-methylcarbamate
- English name
- 2-Chloro-N-[3-(N-methylcarbamoyloxy)phenyl]-2-methylvaleramide
- Molecular weight
- 0
Names & synonyms
17798-19-5Valeranilide, 2-chloro-3'-hydroxy-2-methyl-, methylcarbamate (ester)RefChem:1100884m-(2-Chloro-2-methylvaleramido)phenyl methylcarbamate[3-[(2-chloro-2-methylpentanoyl)amino]phenyl] N-methylcarbamate2-Chloro-2-methyl-3'-(methylcarbamoyloxy)valeranilidePentanamide, 2-chloro-2-methyl-N-(3-(((methylamino)carbonyl)oxy)phenyl)-Pentanamide, 2-chloro-2-methyl-N-[3-[[(methylamino)carbonyl]oxy]phenyl]-NSC 222519BRN 2156285NSC222519Valeranilide, 2-chloro-3'-hydroxy-2-methyl-, methylcarbamate
Show more names
N-Methylcarbamic acid 3-[(2-chloro-2-methylvaleryl)amino]phenyl ester
Carbamic acid, methyl-, ester with 2-chloro-3'-hydroxy-2-methylvaleranilideorb1985212DTXSID5013850262-Chloro-N-[3-(N-methylcarbamoyloxy)phenyl]-2-methylvaleramideAKOS030530672NSC-222519DS-000863T35019
Database identifiers
- CAS
17798-19-5- PubChem CID
- 99424
- DTXSID
DTXSID501385026- Nikkaji
- J49.614F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Chemistry & industry
Applications
DescriptionNSC222519, also known as Valeranilide, 2-chloro-3'-hydroxy-2-methyl-, methylcarbamate (ester) is a useful chemical agent as herbicider
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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