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Chemical ID: 7305779
Chemical ID:
7305779
Name [?]:
N-[1-(phenethylcarbamoyl)-2-phenyl-ethyl]benzamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H24N2O2/c27-23(21-14-8-3-9-15-21)26-22(18-20-12-6-2-7-13-20)24(28)25-17-16-19-10-4-1-5-11-19/h1-15,22H,16-18H2,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,17,26,2,6,16,18,25,27,3,5,15,19,24,28,7,8,13,4,14,23,12,21,10,9,20,22,11/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28cCCCCCCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O2 |
All Atoms: | 52 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2154 |
Area: | 614.134 |
Solvation: | -3.13798 |
Coulombic: | -47.5969 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.46 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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