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Chemical ID: 4770458
Chemical ID:
4770458
Name [?]:
N-[4-(4,5-dihydrooxazol-2-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(ccc1C2=NCCO2)NC(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C17H13F3N2O2/c18-17(19,20)13-5-1-11(2-6-13)15(23)22-14-7-3-12(4-8-14)16-21-9-10-24-16/h1-8H,9-10H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:16,20,1,5,17,19,2,4,9,10,15,6,18,3,13,7,21,22,23,24,8,12,14,11/E:(1,2)(3,4)(5,6)(7,8)(18,19,20)/rA:24nCCCCCCCNCCONCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7s10;s3;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13F3N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65692 |
Area: | 511.253 |
Solvation: | -4.12439 |
Coulombic: | -55.0483 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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