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Chemical ID: 6341829
Chemical ID:
6341829
Name [?]:
N-(3,5-dichlorophenyl)-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C13H8Cl2FNO/c14-9-5-10(15)7-12(6-9)17-13(18)8-2-1-3-11(16)4-8/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,14,12,16,3,13,15,5,11,8,18,17,7,10,9/E:(6,7)(9,10)(14,15)/rA:18nCCCCCCFCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Cl2FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79132 |
Area: | 454.288 |
Solvation: | -2.56588 |
Coulombic: | -26.3491 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 284.113 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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