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Chemical ID: 7475889
Chemical ID:
7475889
Name [?]:
2-[2-(4-chloro-3-methyl-phenoxy)acetyl]amino-N-phenethyl-benzamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C24H23ClN2O3/c1-17-15-19(11-12-21(17)25)30-16-23(28)27-22-10-6-5-9-20(22)24(29)26-14-13-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,17,16,26,30,18,15,5,6,24,23,3,10,2,25,4,19,7,14,11,20,8,22,13,12,21,9/E:(3,4)(7,8)/rA:30nCCCCCCCClOCCONCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O3 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3883 |
Area: | 680.883 |
Solvation: | -4.63377 |
Coulombic: | -52.8973 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 422.904 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.22 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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