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Chemical ID: 6302875
Chemical ID:
6302875
Name [?]:
2-(3,4-dimethoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILES [?]:
COc1ccc(cc1OC)CC(=O)NCc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C18H18F3NO3/c1-24-15-7-6-12(9-16(15)25-2)10-17(23)22-11-13-4-3-5-14(8-13)18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,5,4,21,7,11,15,6,16,20,3,8,12,22,23,24,25,14,13,2,9/E:(19,20,21)/rA:25nCOCCCCCCOCCCONCCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18F3NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21039 |
Area: | 553.262 |
Solvation: | -6.62117 |
Coulombic: | -53.8557 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 353.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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