Chemical ID: 7254138

c1cc(cc(c1)F)CC(=O)Nc2ccc3c(c2)OCO3
Chemical ID:
7254138
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(3-fluorophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)F)CC(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C15H12FNO3/c16-11-3-1-2-10(6-11)7-15(18)17-12-4-5-13-14(8-12)20-9-19-13/h1-6,8H,7,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,4,8,17,19,3,5,12,15,16,9,7,11,10,20,18/rA:20nCCCCCCFCCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12FNO3
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.33968
Area:446.834
Solvation:-4.83116
Coulombic:-39.7073
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.259
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):3.04

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