N-[(3,5-dichloro-4-fluorophenyl)-carbamoyl]-2-methylalanine methyl ester

HCID 20439133
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(C)(C)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIKey
FQADLFHJGWFAEC-UHFFFAOYSA-N
Molecular formula
C12H13Cl2FN2O3
Average molar mass
323.14 g/mol
Monoisotopic mass
322.0287258

Names & identifiers

Preferred name
N-[(3,5-dichloro-4-fluorophenyl)-carbamoyl]-2-methylalanine methyl ester
IUPAC
methyl 2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-2-methylpropanoate

Names & synonyms

SCHEMBL11083973FQADLFHJGWFAEC-UHFFFAOYSA-NN-[(3,5-dichloro-4-fluorophenyl)-carbamoyl]-2-methylalanine methyl ester

Database identifiers

PubChem CID
20439133

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
67.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

Loading…