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Chemical ID: 5569038
Chemical ID:
5569038
Name [?]:
4-benzyloxy-N-[(4-fluorophenyl)methyl]benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)NCc3ccc(cc3)F
InChi [?]:
InChI=1/C21H18FNO2/c22-19-10-6-16(7-11-19)14-23-21(24)18-8-12-20(13-9-18)25-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,20,24,11,13,21,23,10,14,18,7,19,4,12,22,9,15,25,17,16,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCCCOCCCCCCCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18FNO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97917 |
Area: | 568.759 |
Solvation: | -4.2398 |
Coulombic: | -36.3475 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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