Chemical ID: 7415466

Cc1cccc(c1)C(=O)Nc2c(cc(cc2C)Br)C
Chemical ID:
7415466
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2c(cc(cc2C)Br)C
InChi [?]:
InChI=1/C16H16BrNO/c1-10-5-4-6-13(7-10)16(19)18-15-11(2)8-14(17)9-12(15)3/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,19,4,3,5,7,15,13,2,16,12,6,14,11,8,18,10,9/E:(2,3)(8,9)(11,12)/rA:19nCCCCCCCCONCCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16BrNO
All Atoms:35
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.9288
Area:463.398
Solvation:-1.65615
Coulombic:-23.1725
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:318.208
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.68
LogP (Chemaxon):4.0

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Descriptor Annotations

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