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Chemical ID: 5894291
Chemical ID:
5894291
Name [?]:
5-[(3,4-difluorophenyl)carbamoylamino]-2-dimethylamino-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)Nc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C24H24F2N4O2/c1-15(16-7-5-4-6-8-16)27-23(31)19-13-17(10-12-22(19)30(2)3)28-24(32)29-18-9-11-20(25)21(26)14-18/h4-15H,1-3H3,(H,27,31)(H2,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,7,4,8,26,15,27,16,13,30,2,3,14,25,12,28,29,17,10,22,32,31,9,21,24,18,11,23/E:(2,3)(5,6)(7,8)/rA:32cCCCCCCCCNCOCCCCCCNCCNCONCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s18;s14;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24F2N4O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6919 |
Area: | 665.649 |
Solvation: | -5.9493 |
Coulombic: | -69.2115 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.47 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.65 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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