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Chemical ID: 6882844
Chemical ID:
6882844
Name [?]:
N-(4-butylphenyl)-4-[(3-chlorophenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C25H25ClN2O3/c1-2-3-5-18-8-12-21(13-9-18)28-25(30)19-10-14-23(15-11-19)31-17-24(29)27-22-7-4-6-20(26)16-22/h4,6-16H,2-3,5,17H2,1H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,3,27,4,28,26,6,10,15,19,7,9,16,18,30,21,5,14,29,8,25,17,22,12,31,24,11,23,13,20/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN2O3 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7362 |
Area: | 717.532 |
Solvation: | -5.20207 |
Coulombic: | -51.5745 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 436.93 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.31 |
LogP (Chemaxon): | 6.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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