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Chemical ID: 5855675
Chemical ID:
5855675
Name [?]:
N-(4-chloro-2-methyl-phenyl)-2-methoxy-benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccccc2OC)Cl
InChi [?]:
InChI=1/C15H14ClNO2/c1-10-9-11(16)7-8-13(10)17-15(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,13,14,12,15,5,6,3,2,4,11,7,16,9,19,8,10,17/rA:19nCCCCCCCNCOCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86421 |
Area: | 460.42 |
Solvation: | -3.6463 |
Coulombic: | -29.2677 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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