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Chemical ID: 4146017
Chemical ID:
4146017
Name [?]:
N-benzyl-2-bromo-benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C14H12BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,15,7,4,11,16,9,17,8,10/E:(2,3)(6,7)/rA:17nCCCCCCCNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12BrNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9068 |
Area: | 429.359 |
Solvation: | -1.82718 |
Coulombic: | -24.6702 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.155 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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