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Chemical ID: 5680489
Chemical ID:
5680489
Name [?]:
N-(3,5-dichlorophenyl)-3,5-difluoro-benzamide
SMILES [?]:
c1c(cc(cc1F)F)C(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C13H7Cl2F2NO/c14-8-3-9(15)5-12(4-8)18-13(19)7-1-10(16)6-11(17)2-7/h1-6H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,13,17,5,2,14,16,6,4,12,9,19,18,7,8,11,10/E:(1,2)(4,5)(8,9)(10,11)(14,15)(16,17)/rA:19nCCCCCCFFCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl2F2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98082 |
Area: | 462.078 |
Solvation: | -3.57113 |
Coulombic: | -28.0135 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.103 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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