Chemical ID: 4309812

c1cc(ccc1CC(=O)Nc2ccc3c(c2)OCO3)Cl
Chemical ID:
4309812
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(4-chlorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1CC(=O)Nc2ccc3c(c2)OCO3)Cl
InChi [?]:
InChI=1/C15H12ClNO3/c16-11-3-1-10(2-4-11)7-15(18)17-12-5-6-13-14(8-12)20-9-19-13/h1-6,8H,7,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,13,7,16,18,6,3,11,14,15,8,20,10,9,19,17/E:(1,2)(3,4)/rA:20nCCCCCCCCONCCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.94366
Area:476.585
Solvation:-3.97097
Coulombic:-36.8341
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:289.713
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):3.42

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