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Chemical ID: 7372819
Chemical ID:
7372819
Name [?]:
3-benzyloxy-N-[(4-fluorophenyl)methyl]-N-methyl-benzamide
SMILES [?]:
CN(Cc1ccc(cc1)F)C(=O)c2cccc(c2)OCc3ccccc3
InChi [?]:
InChI=1/C22H20FNO2/c1-24(15-17-10-12-20(23)13-11-17)22(25)19-8-5-9-21(14-19)26-16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,15,22,26,14,16,5,9,6,8,18,3,20,4,21,13,7,17,11,10,2,12,19/E:(3,4)(6,7)(10,11)(12,13)/rA:26nCNCCCCCCCFCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s2;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20FNO2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94312 |
Area: | 572.5 |
Solvation: | -4.36938 |
Coulombic: | -31.7547 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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