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Chemical ID: 7325617
Chemical ID:
7325617
Name [?]:
N,N-dimethyl-4-[4-(trifluoromethyl)benzoyl]amino-benzamide
SMILES [?]:
CN(C)C(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C17H15F3N2O2/c1-22(2)16(24)12-5-9-14(10-6-12)21-15(23)11-3-7-13(8-4-11)17(18,19)20/h3-10H,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,16,20,7,11,17,19,8,10,15,6,18,9,13,4,21,22,23,24,12,2,14,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(18,19,20)/rA:24nCNCCOCCCCCCNCOCCCCCCCFFF/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15F3N2O2 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20997 |
Area: | 514.544 |
Solvation: | -3.65363 |
Coulombic: | -57.9929 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 336.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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