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Chemical ID: 6851833
Chemical ID:
6851833
Name [?]:
N-(4-butylphenyl)-4-[1-[(2-chlorophenyl)carbamoyl]ethoxy]benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C26H27ClN2O3/c1-3-4-7-19-10-14-21(15-11-19)28-26(31)20-12-16-22(17-13-20)32-18(2)25(30)29-24-9-6-5-8-23(24)27/h5-6,8-18H,3-4,7H2,1-2H3,(H,28,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,29,28,4,30,27,6,10,15,19,7,9,16,18,21,5,14,8,17,31,26,23,12,32,11,25,24,13,20/E:(10,11)(12,13)(14,15)(16,17)/rA:32cCCCCCCCCCCNCOCCCCCCOCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27ClN2O3 |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.6718 |
Area: | 728.76 |
Solvation: | -4.54723 |
Coulombic: | -53.3755 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 450.957 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.83 |
LogP (Chemaxon): | 5.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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