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Chemical ID: 7339380
Chemical ID:
7339380
Name [?]:
N-(4-chloro-2-fluoro-phenyl)-2,4-difluoro-benzamide
SMILES [?]:
c1cc(c(cc1F)F)C(=O)Nc2ccc(cc2F)Cl
InChi [?]:
InChI=1/C13H7ClF3NO/c14-7-1-4-12(11(17)5-7)18-13(19)9-3-2-8(15)6-10(9)16/h1-6H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:14,1,2,13,16,5,15,6,3,4,17,12,9,19,7,8,18,11,10/rA:19nCCCCCCFFCONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7ClF3NO |
All Atoms: | 26 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.22982 |
Area: | 428.601 |
Solvation: | -4.4852 |
Coulombic: | -31.6276 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 285.649 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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