CCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2NC(=O)C)OC)Br
Name: N-[4-bromo-2-(4-ethylbenzoyl)-5-methoxyphenyl]acetamide
SMILES: CCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2NC(=O)C)OC)Br

Molecular Processing

Molecular formula
C18H18BrNO3
Molecular weight
376.25
Exact mass
375.047
XLogP
4.21
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
94.25

Supplementary Information

InChIKey: IYUVMXGJUPROED-UHFFFAOYSA-N
Synonyms
SCHEMBL1250657IYUVMXGJUPROED-UHFFFAOYSA-NN-[4-Bromo-2-(4-ethyl-benzoyl)-5-methoxy-phenyl]-acetamide
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Involved in 4 reactions→

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