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Chemical ID: 4180294
Chemical ID:
4180294
Name [?]:
N-phenyl-4-[4-(trifluoromethyl)benzoyl]amino-benzamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C21H15F3N2O2/c22-21(23,24)16-10-6-14(7-11-16)19(27)26-18-12-8-15(9-13-18)20(28)25-17-4-2-1-3-5-17/h1-13H,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,20,24,11,15,21,23,12,14,19,10,22,4,13,17,8,25,26,27,28,7,16,18,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(22,23,24)/rA:28nCCCCCCNCOCCCCCCNCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15F3N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7117 |
Area: | 581.005 |
Solvation: | -3.81346 |
Coulombic: | -63.2478 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.351 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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