NC(=O)c1ccccc1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1
Name: benzamide
SMILES: NC(=O)c1ccccc1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1

Molecular Processing

Molecular formula
C30H32ClF3N4O3
Molecular weight
589.06
Exact mass
588.2115
XLogP
5.09
TPSA
113.32
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
151.22

Supplementary Information

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