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Chemical ID: 7259591
Chemical ID:
7259591
Name [?]:
3,5-diacetamido-N-(4-chloro-2-fluoro-phenyl)-benzamide
SMILES [?]:
CC(=O)Nc1cc(cc(c1)NC(=O)C)C(=O)Nc2ccc(cc2F)Cl
InChi [?]:
InChI=1/C17H15ClFN3O3/c1-9(23)20-13-5-11(6-14(8-13)21-10(2)24)17(25)22-16-4-3-12(18)7-15(16)19/h3-8H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,14,20,19,6,8,22,10,2,12,7,21,5,9,23,18,15,25,24,4,11,17,3,13,16/E:(1,2)(5,6)(9,10)(13,14)(20,21)(23,24)/gE:(1,2)/rA:25nCCONCCCCCCNCOCCONCCCCCCFCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s7;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClFN3O3 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36689 |
Area: | 567.957 |
Solvation: | -4.83203 |
Coulombic: | -62.6247 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.771 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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