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Chemical ID: 4197804
Chemical ID:
4197804
Name [?]:
N-(2-chlorophenyl)-2-(trifluoromethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H9ClF3NO/c15-11-7-3-4-8-12(11)19-13(20)9-5-1-2-6-10(9)14(16,17)18/h1-8H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,3,14,11,5,4,15,10,7,17,16,18,19,20,9,8/E:(16,17,18)/rA:20nCCCCCCCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s4;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClF3NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18527 |
Area: | 434.131 |
Solvation: | -2.66801 |
Coulombic: | -41.6188 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 299.675 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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