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Chemical ID: 5742866
Chemical ID:
5742866
Name [?]:
N-(4-acetamidophenyl)-2-chloro-4,5-difluoro-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)c2cc(c(cc2Cl)F)F
InChi [?]:
InChI=1/C15H11ClF2N2O2/c1-8(21)19-9-2-4-10(5-3-9)20-15(22)11-6-13(17)14(18)7-12(11)16/h2-7H,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,15,18,2,5,8,14,19,16,17,12,20,22,21,4,11,3,13/E:(2,3)(4,5)/rA:22nCCONCCCCCCNCOCCCCCCClFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClF2N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.81509 |
Area: | 490.437 |
Solvation: | -5.44583 |
Coulombic: | -45.2758 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.71 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.77 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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