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Chemical ID: 6496081
Chemical ID:
6496081
Name [?]:
4-chloro-3-(3-methylbenzoyl)amino-N-phenyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2cc(ccc2Cl)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C21H17ClN2O2/c1-14-6-5-7-15(12-14)21(26)24-19-13-16(10-11-18(19)22)20(25)23-17-8-3-2-4-9-17/h2-13H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,4,3,5,22,26,14,15,7,12,2,6,13,21,16,11,18,8,17,20,10,19,9/E:(3,4)(8,9)/rA:26nCCCCCCCCONCCCCCCClCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6299 |
Area: | 582.973 |
Solvation: | -2.94443 |
Coulombic: | -45.4284 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.825 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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