Chemical ID: 4467412

c1ccc2c(c1)cccc2OCC(=O)Nc3ccc(c(c3)Cl)F
Chemical ID:
4467412
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(1-naphthyloxy)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2OCC(=O)Nc3ccc(c(c3)Cl)F
InChi [?]:
InChI=1/C18H13ClFNO2/c19-15-10-13(8-9-16(15)20)21-18(22)11-23-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,17,18,21,12,5,16,4,20,19,10,13,22,23,15,14,11/rA:23nCCCCCCCCCCOCCONCCCCCCClF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClFNO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.07605
Area:518.964
Solvation:-4.89805
Coulombic:-33.4236
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.752
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.72
LogP (Chemaxon):4.54

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