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Chemical ID: 7369788
Chemical ID:
7369788
Name [?]:
N-(2,5-dichlorophenyl)-2,4-difluoro-benzamide
SMILES [?]:
c1cc(c(cc1F)F)C(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C13H7Cl2F2NO/c14-7-1-4-10(15)12(5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:15,1,2,16,13,5,14,6,3,17,4,12,9,19,18,7,8,11,10/rA:19nCCCCCCFFCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl2F2NO |
All Atoms: | 26 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35512 |
Area: | 450.454 |
Solvation: | -3.90622 |
Coulombic: | -28.3587 |
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): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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