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Chemical ID: 6420638
Chemical ID:
6420638
Name [?]:
3,4-dichloro-N-[1-(4-phenylphenyl)ethyl]benzamide
SMILES [?]:
CC(c1ccc(cc1)c2ccccc2)NC(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C21H17Cl2NO/c1-14(24-21(25)18-11-12-19(22)20(23)13-18)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-14H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,14,4,8,5,7,19,20,23,2,3,9,6,18,21,22,16,25,24,15,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCCCCCCCCCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s2;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17Cl2NO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5605 |
Area: | 592.515 |
Solvation: | -2.25239 |
Coulombic: | -26.5138 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.271 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.85 |
LogP (Chemaxon): | 5.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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