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Chemical ID: 4984593
Chemical ID:
4984593
Name [?]:
N-(3-benzamidophenyl)-2,5-dichloro-benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2cccc(c2)NC(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C20H14Cl2N2O2/c21-14-9-10-18(22)17(11-14)20(26)24-16-8-4-7-15(12-16)23-19(25)13-5-2-1-3-6-13/h1-12H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,3,5,11,13,22,23,20,15,4,21,10,14,19,24,7,17,26,25,9,16,8,18/E:(2,3)(5,6)/rA:26nCCCCCCCONCCCCCCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14Cl2N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.569 |
Area: | 594.549 |
Solvation: | -3.29474 |
Coulombic: | -44.5893 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.243 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.21 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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