Chemical ID: 7020141

CC(C)CCOc1ccc(cc1)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
Chemical ID:
7020141
Name [?]:
3-chloro-N-[(3-chlorobenzoyl)amino-(4-isopentyloxyphenyl)-methyl]-benzamide
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C26H26Cl2N2O3/c1-17(2)13-14-33-23-11-9-18(10-12-23)24(29-25(31)19-5-3-7-21(27)15-19)30-26(32)20-6-4-8-22(28)16-20/h3-12,15-17,24H,13-14H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,3,19,29,18,28,20,30,9,11,8,12,4,5,22,32,2,10,17,27,21,31,7,13,15,25,23,33,14,24,16,26,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(19,20)(21,22)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:33nCCCCCOCCCCCCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s13;s24;d25;s25;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26Cl2N2O3
All Atoms:59
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.6298
Area:769.06
Solvation:-4.59674
Coulombic:-54.8048
Bond Count [?]
All:35
Single:24
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:485.402
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:7.61
LogP (Chemaxon):6.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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