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Chemical ID: 4367313
Chemical ID:
4367313
Name [?]:
3,5-dichloro-4-methoxy-N-phenyl-benzamide
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccccc2)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c1-19-13-11(15)7-9(8-12(13)16)14(18)17-10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,5,7,6,13,4,8,3,10,19,9,12,11,2/E:(3,4)(5,6)(7,8)(11,12)(15,16)/rA:19nCOCCCCCCClCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74201 |
Area: | 474.685 |
Solvation: | -3.12511 |
Coulombic: | -30.2549 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.148 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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