Chemical ID: 5372130

c1ccc2c(c1)cccc2C(=O)OCC(=O)Nc3ccc(cc3)OC(F)F
Chemical ID:
5372130
Name [?]:
[4-(difluoromethoxy)phenyl]carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)OCC(=O)Nc3ccc(cc3)OC(F)F
InChi [?]:
InChI=1/C20H15F2NO4/c21-20(22)27-15-10-8-14(9-11-15)23-18(24)12-26-19(25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,20H,12H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,19,23,20,22,14,5,18,21,4,10,15,11,25,26,27,17,16,12,13,24/E:(8,9)(10,11)(21,22)/rA:27nCCCCCCCCCCCOOCCONCCCCCCOCFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15F2NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.0881
Area:563.452
Solvation:-4.99819
Coulombic:-61.7549
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.334
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.59
LogP (Chemaxon):4.28

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