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Chemical ID: 4203180
Chemical ID:
4203180
Name [?]:
N-(3-acetamidophenyl)-2,3,4,5,6-pentafluoro-benzamide
SMILES [?]:
CC(=O)Nc1cccc(c1)NC(=O)c2c(c(c(c(c2F)F)F)F)F
InChi [?]:
InChI=1/C15H9F5N2O2/c1-6(23)21-7-3-2-4-8(5-7)22-15(24)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,10,2,5,9,14,15,19,16,18,17,12,24,20,23,21,22,4,11,3,13/E:(10,11)(12,13)(16,17)(18,19)/rA:24nCCONCCCCCCNCOCCCCCCFFFFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s18;s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9F5N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.96919 |
Area: | 487.773 |
Solvation: | -8.22514 |
Coulombic: | -50.7376 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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