Chemical ID: 6176767

CC(C)C(C(=O)Nc1cccc2c1cccc2)Br
Chemical ID:
6176767
Name [?]:
2-bromo-3-methyl-N-(1-naphthyl)butanamide
SMILES [?]:
CC(C)C(C(=O)Nc1cccc2c1cccc2)Br
InChi [?]:
InChI=1/C15H16BrNO/c1-10(2)14(16)15(18)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,10,17,11,14,9,2,12,13,8,4,5,18,7,6/E:(1,2)/rA:18cCCCCCONCCCCCCCCCCBr/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16BrNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.97098
Area:437.006
Solvation:-1.95418
Coulombic:-23.1232
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.198
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.06
LogP (Chemaxon):4.44

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