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Chemical ID: 7516761
Chemical ID:
7516761
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-formylphenoxy)-acetamide
SMILES [?]:
c1cc(ccc1C=O)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C16H11ClF3NO3/c17-13-6-3-11(16(18,19)20)7-14(13)21-15(23)9-24-12-4-1-10(8-22)2-5-12/h1-8H,9H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,18,15,7,10,6,16,3,19,14,11,21,20,22,23,24,13,8,12,9/E:(1,2)(4,5)(18,19,20)/rA:24nCCCCCCCOOCCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClF3NO3 |
All Atoms: | 35 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.24589 |
Area: | 535.152 |
Solvation: | -6.13292 |
Coulombic: | -53.599 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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