N-(3-Bromo-5-fluoro-2-methyl-phenyl)-3-fluoro-terephthalamic acid methyl ester

HCID 71230752
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Basic information

Standard SMILES
COC(=O)c1ccc(C(=O)Nc2cc(F)cc(Br)c2C)c(F)c1
InChIKey
OVVFPQINIHSXPV-UHFFFAOYSA-N
Molecular formula
C16H12BrF2NO3
Average molar mass
384.17 g/mol

Names & identifiers

Preferred name
N-(3-Bromo-5-fluoro-2-methyl-phenyl)-3-fluoro-terephthalamic acid methyl ester
IUPAC
methyl 4-[(3-bromo-5-fluoro-2-methylphenyl)carbamoyl]-3-fluorobenzoate

Names & synonyms

SCHEMBL14645531OVVFPQINIHSXPV-UHFFFAOYSA-NN-(3-Bromo-5-fluoro-2-methyl-phenyl)-3-fluoro-terephthalamic acid methyl ester

Database identifiers

PubChem CID
71230752

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

3 records
New reaction record

Compound notes

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