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Chemical ID: 6158468
Chemical ID:
6158468
Name [?]:
3-benzamido-N-(4-isopropylphenyl)-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)c2cccc(c2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O2/c1-16(2)17-11-13-20(14-12-17)24-23(27)19-9-6-10-21(15-19)25-22(26)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,25,24,26,15,23,27,14,16,5,9,6,8,18,2,4,22,13,7,17,20,11,10,19,21,12/E:(1,2)(4,5)(7,8)(11,12)(13,14)/rA:27nCCCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9443 |
Area: | 602.34 |
Solvation: | -3.11416 |
Coulombic: | -45.6276 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.433 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.37 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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