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Chemical ID: 7498392
Chemical ID:
7498392
Name [?]:
N-(3,4-dichlorophenyl)-4-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-10(2)21-13-6-3-11(4-7-13)16(20)19-12-5-8-14(17)15(18)9-12/h3-10H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,7,9,15,6,10,16,19,2,8,14,5,17,18,11,21,20,13,12,4/E:(1,2)(3,4)(6,7)/rA:21nCCCOCCCCCCCONCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2716 |
Area: | 523.486 |
Solvation: | -2.81553 |
Coulombic: | -30.7114 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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