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Chemical ID: 5761693
Chemical ID:
5761693
Name [?]:
N-(3-bromophenyl)-3-dimethylamino-benzamide
SMILES [?]:
CN(C)c1cccc(c1)C(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C15H15BrN2O/c1-18(2)14-8-3-5-11(9-14)15(19)17-13-7-4-6-12(16)10-13/h3-10H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,6,15,7,16,14,5,9,18,8,17,13,4,10,19,12,2,11/E:(1,2)/rA:19nCNCCCCCCCCONCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15BrN2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64489 |
Area: | 470.854 |
Solvation: | -2.12646 |
Coulombic: | -28.9678 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 319.196 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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