The Biofilms Structural Database
Name
2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
Molecular Weight
537.63
Isomeric SMILES
Cc1ccccc1C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1Cl
Formula
C22H16Br2ClNO3
Identifiers
[2,4-dibromo-6-[[(2-chlorophenyl)carbonylamino]methyl]phenyl] 2-methylbenzoate
Formal Charge
0
InChI
InChI=1S/C22H16Br2ClNO3/c1-13-6-2-3-7-16(13)22(28)29-20-14(10-15(23)11-18(20)24)12-26-21(27)17-8-4-5-9-19(17)25/h2-11H,12H2,1H3,(H,26,27)
Atom Count
45
InChIKey
ZXLLGHNQLPHULK-UHFFFAOYSA-N
PDB codes
3IX8
Type
Non-polymer
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
47
Aromatic Bond Count
18
Leaving Atoms