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Chemical ID: 7020355
Chemical ID:
7020355
Name [?]:
N-[benzamido-(3,4-dichlorophenyl)-methyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(c2ccc(c(c2)Cl)Cl)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C21H16Cl2N2O2/c22-17-12-11-16(13-18(17)23)19(24-20(26)14-7-3-1-4-8-14)25-21(27)15-9-5-2-6-10-15/h1-13,19H,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,12,13,16,4,22,11,14,15,10,7,20,18,17,9,19,8,21/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(20,21)(24,25)(26,27)/gE:(1,2)/rA:27nCCCCCCCONCCCCCCCClClNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s10;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16Cl2N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1631 |
Area: | 619.7 |
Solvation: | -3.32941 |
Coulombic: | -47.7593 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 399.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.84 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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