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Chemical ID: 5976521
Chemical ID:
5976521
Name [?]:
2-dimethylamino-5-(3-fluorobenzoyl)amino-N-[(4-fluorophenyl)methyl]benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)NCc2ccc(cc2)F)NC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C23H21F2N3O2/c1-28(2)21-11-10-19(27-22(29)16-4-3-5-18(25)12-16)13-20(21)23(30)26-14-15-6-8-17(24)9-7-15/h3-13H,14H2,1-2H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,26,25,27,15,19,16,18,6,5,29,8,13,14,24,17,28,7,9,4,22,10,20,30,12,21,2,23,11/E:(1,2)(6,7)(8,9)/rA:30nCNCCCCCCCCONCCCCCCCFNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s7;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21F2N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99728 |
Area: | 632.629 |
Solvation: | -5.81845 |
Coulombic: | -56.5811 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 409.429 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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