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Chemical ID: 4528780
Chemical ID:
4528780
Name [?]:
3-benzamido-N-(3-chlorophenyl)-benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H15ClN2O2/c21-16-9-5-11-18(13-16)23-20(25)15-8-4-10-17(12-15)22-19(24)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,21,3,5,13,22,11,20,15,24,4,14,23,10,19,7,16,25,9,18,8,17/E:(2,3)(6,7)/rA:25nCCCCCCCONCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15ClN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4628 |
Area: | 570.513 |
Solvation: | -2.80007 |
Coulombic: | -45.5843 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.798 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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