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Chemical ID: 5753580
Chemical ID:
5753580
Name [?]:
N-(3,5-dichlorophenyl)-3-dimethylamino-benzamide
SMILES [?]:
CN(C)c1cccc(c1)C(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C15H14Cl2N2O/c1-19(2)14-5-3-4-10(6-14)15(20)18-13-8-11(16)7-12(17)9-13/h3-9H,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,9,16,14,18,8,15,17,13,4,10,20,19,12,2,11/E:(1,2)(8,9)(11,12)(16,17)/rA:20nCNCCCCCCCCONCCCCCCClCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14Cl2N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6343 |
Area: | 510.201 |
Solvation: | -2.12075 |
Coulombic: | -29.0876 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.19 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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