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Chemical ID: 6771419
Chemical ID:
6771419
Name [?]:
4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2ccc(c(c2)NC(=O)Nc3ccc(c(c3)Cl)Cl)Cl
InChi [?]:
InChI=1/C22H18Cl3N3O2/c1-13(14-5-3-2-4-6-14)26-21(29)15-7-9-18(24)20(11-15)28-22(30)27-16-8-10-17(23)19(25)12-16/h2-13H,1H3,(H,26,29)(H2,27,28,30)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,13,23,14,24,17,27,2,3,12,22,25,15,26,16,10,19,29,30,28,9,21,18,11,20/E:(3,4)(5,6)/rA:30cCCCCCCCCNCOCCCCCCNCONCCCCCCClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl3N3O2 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.136 |
Area: | 691.21 |
Solvation: | -3.14427 |
Coulombic: | -59.1229 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 462.755 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 5.99 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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