methyl N-(2-fluoro-4-chloro-5-cyclopentyloxyphenyl)carbamate

HCID 15766845

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)Nc1cc(OC2CCCC2)c(Cl)cc1F
InChIKey: FFRRKQUHSRSSSC-UHFFFAOYSA-N
Molecular formula: C13H15ClFNO3
Average molar mass: 287.71 g/mol
Monoisotopic mass: 287.0724492

Names & identifiers

Preferred name: methyl N-(2-fluoro-4-chloro-5-cyclopentyloxyphenyl)carbamate
IUPAC: methyl N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)carbamate

Names & synonyms

SCHEMBL7931893FFRRKQUHSRSSSC-UHFFFAOYSA-Nmethyl N-(2-fluoro-4-chloro-5-cyclopentyloxyphenyl)carbamatemethyl N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)carbamate

Database identifiers

PubChem CID: 15766845

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 312

Related reactions

23 records

New reaction record

HRID 105493As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 128542As reactantuspto-grants-1995_11

HRID 148959As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 275097As productuspto-grants-1995_02

HRID 275098As reactantuspto-grants-1995_02

HRID 275099As reactantuspto-grants-1995_02

HRID 281325As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 742431As productuspto-grants-1996_09

Compound notes

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