Chemical ID: 5569038

c1ccc(cc1)COc2ccc(cc2)C(=O)NCc3ccc(cc3)F
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

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Experimental Annotations

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Descriptor Annotations

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