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Chemical ID: 5783161
Chemical ID:
5783161
Name [?]:
N-ethyl-4-(2-methylbenzoyl)amino-N-phenyl-benzamide
SMILES [?]:
CCN(c1ccccc1)C(=O)c2ccc(cc2)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C23H22N2O2/c1-3-25(20-10-5-4-6-11-20)23(27)18-13-15-19(16-14-18)24-22(26)21-12-8-7-9-17(21)2/h4-16H,3H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,7,6,8,24,23,25,5,9,22,13,17,14,16,26,12,15,4,21,19,10,18,3,20,11/E:(5,6)(10,11)(13,14)(15,16)/rA:27nCCNCCCCCCCOCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6026 |
Area: | 572.166 |
Solvation: | -2.70155 |
Coulombic: | -41.5837 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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