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Chemical ID: 7020121
Chemical ID:
7020121
Name [?]:
N-[(4-butoxyphenyl)-(4-chlorobenzoyl)amino-methyl]-4-chloro-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H24Cl2N2O3/c1-2-3-16-32-22-14-8-17(9-15-22)23(28-24(30)18-4-10-20(26)11-5-18)29-25(31)19-6-12-21(27)13-7-19/h4-15,23H,2-3,16H2,1H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,21,27,31,8,10,18,20,28,30,7,11,4,9,16,26,19,29,6,12,14,24,22,32,13,23,15,25,5/E:(4,5,6,7)(8,9)(10,11,12,13)(14,15)(18,19)(20,21)(24,25)(26,27)(28,29)(30,31)/gE:(1,2)/rA:32nCCCCOCCCCCCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24Cl2N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0358 |
Area: | 746.028 |
Solvation: | -4.61491 |
Coulombic: | -54.6621 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 471.375 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.1 |
LogP (Chemaxon): | 5.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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