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Chemical ID: 7370339
Chemical ID:
7370339
Name [?]:
N-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2cc(ccc2Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H8Cl2F3NO/c15-8-5-6-11(16)12(7-8)20-13(21)9-3-1-2-4-10(9)14(17,18)19/h1-7H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,14,11,12,5,4,15,10,7,18,17,16,19,20,21,9,8/E:(17,18,19)/rA:21nCCCCCCCONCCCCCCClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s12;s4;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8Cl2F3NO |
All Atoms: | 29 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96713 |
Area: | 468.516 |
Solvation: | -2.74577 |
Coulombic: | -41.3919 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 334.12 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.16 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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