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Chemical ID: 5763643
Chemical ID:
5763643
Name [?]:
2-chloro-N-(2-chloro-6-methyl-phenyl)-benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2ccccc2Cl)Cl
InChi [?]:
InChI=1/C14H11Cl2NO/c1-9-5-4-8-12(16)13(9)17-14(18)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,4,3,12,15,5,2,11,16,6,7,9,17,18,8,10/rA:18nCCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00616 |
Area: | 444.736 |
Solvation: | -2.11223 |
Coulombic: | -23.6783 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.149 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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