[2-Amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert-butyl ester

HCID 69486641

Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccc(F)cc2)cc1N
InChIKey
VBHYKUQKJLBZLV-UHFFFAOYSA-N
Molecular formula
C19H19FN2O2
Average molar mass
326.4 g/mol
Monoisotopic mass
326.14305602

Names & identifiers

Preferred name
[2-Amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[2-amino-4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate

Names & synonyms

SCHEMBL5557083VBHYKUQKJLBZLV-UHFFFAOYSA-NDB-374306[2-amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert-butyl ester[2-Amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert.-butyl ester1,1-Dimethylethyl N-[2-amino-4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate335255-58-8

Database identifiers

PubChem CID
69486641

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24

Related reactions

38 records

Compound notes

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