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Chemical ID: 5509436
Chemical ID:
5509436
Name [?]:
N-benzhydryl-2-(2,6-dichlorophenyl)-N-methyl-acetamide
SMILES [?]:
CN(C(c1ccccc1)c2ccccc2)C(=O)Cc3c(cccc3Cl)Cl
InChi [?]:
InChI=1/C22H19Cl2NO/c1-25(21(26)15-18-19(23)13-8-14-20(18)24)22(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,22H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,13,6,8,12,14,22,5,9,11,15,21,23,18,4,10,19,20,24,16,3,26,25,2,17/E:(2,3)(4,5,6,7)(9,10,11,12)(13,14)(16,17)(19,20)(23,24)/rA:26nCNCCCCCCCCCCCCCCOCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;d11;s12;d13;d10s14;s2;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19Cl2NO |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4364 |
Area: | 564.416 |
Solvation: | -2.674 |
Coulombic: | -20.9607 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.298 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.91 |
LogP (Chemaxon): | 5.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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