Chemical ID: 7269088

Cc1ccccc1NC(=O)CNc2ccc(cc2C)Br
Chemical ID:
7269088
Name [?]:
2-(4-bromo-2-methyl-phenyl)amino-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CNc2ccc(cc2C)Br
InChi [?]:
InChI=1/C16H17BrN2O/c1-11-5-3-4-6-15(11)19-16(20)10-18-14-8-7-13(17)9-12(14)2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,4,5,3,6,15,14,17,11,2,18,16,13,7,9,20,12,8,10/rA:20nCCCCCCCNCOCNCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17BrN2O
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.91829
Area:493.439
Solvation:-2.41767
Coulombic:-33.6501
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.223
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.66
LogP (Chemaxon):3.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue