Chemical ID: 6935675

Cc1cc(ccc1NC(=O)CC(C)C)Br
Chemical ID:
6935675
Name [?]:
N-(4-bromo-2-methyl-phenyl)-3-methyl-butanamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CC(C)C)Br
InChi [?]:
InChI=1/C12H16BrNO/c1-8(2)6-12(15)14-11-5-4-10(13)7-9(11)3/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:13,14,1,5,6,11,3,12,2,4,7,9,15,8,10/E:(1,2)/rA:15nCCCCCCCNCOCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s12;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrNO
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.63632
Area:408.952
Solvation:-1.58747
Coulombic:-21.0957
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.166
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.63
LogP (Chemaxon):3.34

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Descriptor Annotations

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