Basic information
- CAS
31755-08-5- Standard SMILES
Cc1cccc(Cl)c1NC(=O)OC1CCN(C(C)(C)C)C1- InChIKey
HZPVYVIKZIPUDA-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O2
- Average molar mass
- 310.82 g/mol
- Monoisotopic mass
- 310.1448057
Names & identifiers
- Preferred name
- Carbanilic acid, 2-chloro-6-methyl-, N-tert-butyl-3-pyrrolidinyl ester
- IUPAC
- (1-tert-butylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
- English name
- N-(2-Chloro-6-methylphenyl)carbamic acid 1-tert-butyl-3-pyrrolidinyl ester
- Molecular formula
- C16H23ClN2O2
- Molecular weight
- 310.82
Names & synonyms
31755-08-5CARBANILIC ACID, 2-CHLORO-6-METHYL-, N-tert-BUTYL-3-PYRROLIDINYL ESTERRefChem:1081074BRN 1543012N-tert-Butyl-3-pyrrolidinyl 2-chloro-6-methylcarbanilateN-tert-Butyl-3-pyrrolidyl 2-chloro-6-methylphenylcarbamate2-Chloro-6-methylcarbanilic acid, N-tert-butyl-3-pyrrolidinyl esterDTXSID80953686N-(2-Chloro-6-methylphenyl)carbamic acid 1-tert-butyl-3-pyrrolidinyl ester1-tert-Butylpyrrolidin-3-yl hydrogen (2-chloro-6-methylphenyl)carbonimidateCarbamic acid, (2-chloro-6-methylphenyl)-, 1-(1,1-dimethylethyl)-3-pyrrolidinyl ester (9CI)
Database identifiers
- CAS
31755-08-5- PubChem CID
- 35892
- DTXSID
DTXSID80953686- Nikkaji
- J42.827B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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