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Chemical ID: 4318607
Chemical ID:
4318607
Name [?]:
2-chloro-N-(3,5-dimethoxyphenyl)-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C15H14ClNO3/c1-19-11-7-10(8-12(9-11)20-2)17-15(18)13-5-3-4-6-14(13)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,16,17,15,18,4,6,8,5,3,7,14,19,12,20,11,13,2,9/E:(1,2)(7,8)(11,12)(19,20)/rA:20nCOCCCCCCOCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12722 |
Area: | 472.189 |
Solvation: | -4.67751 |
Coulombic: | -35.7072 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.729 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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