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Chemical ID: 5806562
Chemical ID:
5806562
Name [?]:
N-(3-chlorophenyl)-4-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C14H9ClF3NO/c15-11-2-1-3-12(8-11)19-13(20)9-4-6-10(7-5-9)14(16,17)18/h1-8H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,2,12,16,13,15,4,11,14,5,3,9,17,7,18,19,20,8,10/E:(4,5)(6,7)(16,17,18)/rA:20nCCCCCCClNCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClF3NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86061 |
Area: | 457.861 |
Solvation: | -2.58591 |
Coulombic: | -41.9103 |
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): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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