Chemical ID: 5360924

c1ccc(cc1)c2ccc(cc2)C(=O)OCC(=O)Nc3ccc(c(c3)F)F
Chemical ID:
5360924
Name [?]:
(3,4-difluorophenyl)carbamoylmethyl 4-phenylbenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)OCC(=O)Nc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C21H15F2NO3/c22-18-11-10-17(12-19(18)23)24-20(25)13-27-21(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,21,22,25,16,4,7,10,20,23,24,17,13,27,26,19,18,14,15/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCCCCCCCCCCCCCOOCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15F2NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.35448
Area:581.662
Solvation:-5.18706
Coulombic:-49.775
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.346
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.96
LogP (Chemaxon):4.64

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