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Chemical ID: 4701291
Chemical ID:
4701291
Name [?]:
N-benzyl-3,4-dichloro-N-(4-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)N(Cc2ccccc2)C(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C21H17Cl2NO2/c1-26-18-10-8-17(9-11-18)24(14-15-5-3-2-4-6-15)21(25)16-7-12-19(22)20(23)13-16/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,20,5,7,4,8,21,24,10,11,19,6,3,22,23,17,26,25,9,18,2/E:(3,4)(5,6)(8,9)(10,11)/rA:26nCOCCCCCCNCCCCCCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;s17;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17Cl2NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9519 |
Area: | 565.872 |
Solvation: | -3.19495 |
Coulombic: | -28.0033 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.0 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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