Chemical ID: 6158206

CC(C)C(=O)Nc1cccc(c1)C(=O)Nc2ccccc2Br
Chemical ID:
6158206
Name [?]:
N-(2-bromophenyl)-3-(2-methylpropanoylamino)benzamide
SMILES [?]:
CC(C)C(=O)Nc1cccc(c1)C(=O)Nc2ccccc2Br
InChi [?]:
InChI=1/C17H17BrN2O2/c1-11(2)16(21)19-13-7-5-6-12(10-13)17(22)20-15-9-4-3-8-14(15)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,9,10,8,20,17,12,2,11,7,21,16,4,13,22,6,15,5,14/E:(1,2)/rA:22nCCCCONCCCCCCCONCCCCCCBr/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17BrN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1449
Area:518.433
Solvation:-2.81597
Coulombic:-42.9641
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.233
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.59
LogP (Chemaxon):3.76

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