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Chemical ID: 7335200
Chemical ID:
7335200
Name [?]:
4-[(2,4-dichlorophenyl)methoxy]-N-[1-(4-ethylphenyl)ethyl]-3-methoxy-benzamide
SMILES [?]:
CCc1ccc(cc1)C(C)NC(=O)c2ccc(c(c2)OC)OCc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C25H25Cl2NO3/c1-4-17-5-7-18(8-6-17)16(2)28-25(29)19-10-12-23(24(13-19)30-3)31-15-20-9-11-21(26)14-22(20)27/h5-14,16H,4,15H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,10,21,2,4,8,5,7,25,15,26,16,19,28,23,9,3,6,14,24,27,29,17,18,12,31,30,11,13,20,22/E:(5,6)(7,8)/rA:31cCCCCCCCCCCNCOCCCCCCOCOCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25Cl2NO3 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1631 |
Area: | 717.566 |
Solvation: | -4.77607 |
Coulombic: | -40.2677 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 458.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.08 |
LogP (Chemaxon): | 6.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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