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Chemical ID: 6365720
Chemical ID:
6365720
Name [?]:
N-(4-chloro-2-fluoro-phenyl)-4-fluoro-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2F)Cl)F
InChi [?]:
InChI=1/C13H8ClF2NO/c14-9-3-6-12(11(16)7-9)17-13(18)8-1-4-10(15)5-2-8/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,11,14,6,13,3,15,10,7,17,18,16,9,8/E:(1,2)(4,5)/rA:18nCCCCCCCONCCCCCCFClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8ClF2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62197 |
Area: | 427.036 |
Solvation: | -3.05393 |
Coulombic: | -30.3493 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.658 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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