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Chemical ID: 7475887
Chemical ID:
7475887
Name [?]:
2-[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino-N-phenethyl-benzamide
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C25H25ClN2O3/c1-17-14-20(15-18(2)24(17)26)31-16-23(29)28-22-11-7-6-10-21(22)25(30)27-13-12-19-8-4-3-5-9-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,9,29,28,30,18,17,27,31,19,16,25,24,3,5,11,2,6,26,4,20,15,12,7,21,8,23,14,13,22,10/E:(1,2)(4,5)(8,9)(14,15)(17,18)/rA:31nCCCCCCCClCOCCONCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN2O3 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8804 |
Area: | 698.275 |
Solvation: | -4.5765 |
Coulombic: | -52.8729 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 436.93 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.45 |
LogP (Chemaxon): | 5.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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