Chemical ID: 4770458

c1cc(ccc1C2=NCCO2)NC(=O)c3ccc(cc3)C(F)(F)F
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

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