Chemical ID: 7377273

c1ccc(cc1)Oc2ccc(cc2)C(=O)OCC(=O)Nc3cc(ccc3F)F
Chemical ID:
7377273
Name [?]:
(2,5-difluorophenyl)carbamoylmethyl 4-phenoxybenzoate
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)C(=O)OCC(=O)Nc3cc(ccc3F)F
InChi [?]:
InChI=1/C21H15F2NO4/c22-15-8-11-18(23)19(12-15)24-20(25)13-27-21(26)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,12,24,9,13,25,22,17,11,23,4,8,26,21,18,14,28,27,20,19,15,16,7/E:(2,3)(4,5)(6,7)(9,10)/rA:28nCCCCCCOCCCCCCCOOCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15F2NO4
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.33959
Area:591.318
Solvation:-5.44335
Coulombic:-56.7703
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:383.345
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):3.73

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