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Chemical ID: 7038150
Chemical ID:
7038150
Name [?]:
3-chloro-N-[(3-chlorobenzoyl)amino-(3-methoxyphenyl)-methyl]-benzamide
SMILES [?]:
COc1cccc(c1)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O3/c1-29-19-10-4-5-14(13-19)20(25-21(27)15-6-2-8-17(23)11-15)26-22(28)16-7-3-9-18(24)12-16/h2-13,20H,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,15,25,5,6,14,24,16,26,4,18,28,8,7,13,23,17,27,3,9,11,21,19,29,10,20,12,22,2/E:(2,3)(6,7)(8,9)(11,12)(15,16)(17,18)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:29nCOCCCCCCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s9;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl2N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.983 |
Area: | 666.817 |
Solvation: | -4.68744 |
Coulombic: | -53.5418 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 429.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.75 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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