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Chemical ID: 4189277
Chemical ID:
4189277
Name [?]:
N-(4-benzamido-3-methyl-phenyl)-2,5-dichloro-benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccccc2)NC(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H16Cl2N2O2/c1-13-11-16(24-21(27)17-12-15(22)7-9-18(17)23)8-10-19(13)25-20(26)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,23,5,24,6,3,21,2,11,22,4,20,25,7,9,18,27,26,17,8,10,19/E:(3,4)(5,6)/rA:27nCCCCCCCNCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16Cl2N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1379 |
Area: | 611.579 |
Solvation: | -3.15158 |
Coulombic: | -44.6023 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.01 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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