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Chemical ID: 6158206
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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