CC(C)C(C1=CC=C(C=C1)Cl)C(=O)N
CAS: 69741-69-1
Name: 2-(4-chlorophenyl)-3-methylbutanamide
SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)N

Molecular Processing

Molecular formula
C11H14ClNO
Molecular weight
211.69
Exact mass
211.0764
XLogP
2.56
TPSA
43.09
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58.23

Supplementary Information

InChIKey: QZVCKPXVTOPHBV-UHFFFAOYSA-N
Synonyme
2-(4-chlorophenyl)-3-methylbutanamideRefChem:457376938-171-769741-69-12-(4-CHLORO-PHENYL)-3-METHYL-BUTYRAMIDECHEMBL5961522-(4-chlorophenyl)-3-methylbutyramideSCHEMBL1677071QZVCKPXVTOPHBV-UHFFFAOYSA-NBDBM50305942AKOS008977414SB38366DB-269185rac-2-(4-chlorophenyl)-3-methylbutanamideCS-0272280Z68590744
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