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Chemical ID: 5532658
Chemical ID:
5532658
Name [?]:
3,4-dichloro-N-[4-(trifluoromethoxy)phenyl]-benzamide
SMILES [?]:
c1cc(ccc1NC(=O)c2ccc(c(c2)Cl)Cl)OC(F)(F)F
InChi [?]:
InChI=1/C14H8Cl2F3NO2/c15-11-6-1-8(7-12(11)16)13(21)20-9-2-4-10(5-3-9)22-14(17,18)19/h1-7H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:11,1,5,2,4,12,15,10,6,3,13,14,8,19,17,16,20,21,22,7,9,18/E:(2,3)(4,5)(17,18,19)/rA:22nCCCCCCNCOCCCCCCClClOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s13;s3;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8Cl2F3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1517 |
Area: | 497.645 |
Solvation: | -2.28937 |
Coulombic: | -54.9108 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 350.119 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.4 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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