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Chemical ID: 7020334
Chemical ID:
7020334
Name [?]:
N-[(3,4-dichlorophenyl)-(2-methylbenzoyl)amino-methyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)NC(c2ccc(c(c2)Cl)Cl)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C23H20Cl2N2O2/c1-14-7-3-5-9-17(14)22(28)26-21(16-11-12-19(24)20(25)13-16)27-23(29)18-10-6-4-8-15(18)2/h3-13,21H,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,4,26,5,25,3,27,6,24,13,14,17,2,28,12,7,23,15,16,11,8,21,19,18,10,20,9,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(17,18)(22,23)(26,27)(28,29)/gE:(1,2)/rA:29nCCCCCCCCONCCCCCCCClClNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s11;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20Cl2N2O2 |
All Atoms: | 49 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9981 |
Area: | 645.235 |
Solvation: | -3.1328 |
Coulombic: | -47.6146 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 427.323 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.71 |
LogP (Chemaxon): | 5.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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