CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)F)C(F)(F)F)C3=CC(=CC=C3)[N+](=O)[O-]
이름: 3-fluoro-N-[4-methyl-3-(3-nitrophenyl)phenyl]-5-(trifluoromethyl)benzamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)F)C(F)(F)F)C3=CC(=CC=C3)[N+](=O)[O-]

Molecular Processing

Molecular formula
C21H14F4N2O3
Molecular weight
418.35
Exact mass
418.0941
XLogP
5.98
TPSA
72.24
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
102.62

Supplementary Information

InChIKey: LKDJJPVXHQTHRF-UHFFFAOYSA-N
동의어
3-Fluoro-N-(6-methyl-3'-nitrobiphenyl-3-yl)-5-(trifluoromethyl)benzamideSCHEMBL44402673-fluoro-N-(6-methyl-3'-nitrobiphenyl-3-yl)-5-(tri fluoromethyl)benzamide
출처 보기 →
5개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→