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Chemical ID: 5873726
Chemical ID:
5873726
Name [?]:
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]-propanamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)C(F)(F)F)NC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C23H20F3N3O2/c24-23(25,26)17-11-13-19(14-12-17)27-21(30)20(15-16-7-3-1-4-8-16)29-22(31)28-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,27,30)(H2,28,29,31)
InChi Info:
AuxInfo=1/1/N:1,29,2,6,28,30,3,5,27,31,14,16,13,17,7,4,15,26,12,8,9,23,18,19,20,21,11,25,22,10,24/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25,26)/rA:31cCCCCCCCCCONCCCCCCCFFFNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;s8;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20F3N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3668 |
Area: | 615.861 |
Solvation: | -4.02974 |
Coulombic: | -76.2191 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 427.419 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.55 |
LogP (Chemaxon): | 5.54 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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