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Chemical ID: 5723766
Chemical ID:
5723766
Name [?]:
N-(2-bromophenyl)-2,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)Nc2ccccc2Br
InChi [?]:
InChI=1/C15H14BrNO/c1-10-7-8-12(11(2)9-10)15(18)17-14-6-4-3-5-13(14)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,15,14,16,13,3,4,7,2,6,5,17,12,9,18,11,10/rA:18nCCCCCCCCCONCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14BrNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60926 |
Area: | 439.0 |
Solvation: | -1.36575 |
Coulombic: | -24.0277 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 304.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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