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Chemical ID: 7324402
Chemical ID:
7324402
Name [?]:
N-carbamoyl-2-[4-(trifluoromethyl)phenoxy]-acetamide
SMILES [?]:
c1cc(ccc1C(F)(F)F)OCC(=O)NC(=O)N
InChi [?]:
InChI=1/C10H9F3N2O3/c11-10(12,13)6-1-3-7(4-2-6)18-5-8(16)15-9(14)17/h1-4H,5H2,(H3,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,6,3,13,16,7,8,9,10,18,15,14,17,11/E:(1,2)(3,4)(11,12,13)/rA:18nCCCCCCCFFFOCCONCON/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s3;s11;s12;d13;s13;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9F3N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.66526 |
Area: | 417.24 |
Solvation: | -6.76573 |
Coulombic: | -70.0042 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.185 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.61 |
LogP (Chemaxon): | 1.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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