Chemical ID: 5726844

Cc1ccc2c(c1)occ2CC(=O)NCc3cccc(c3)Cl
Chemical ID:
5726844
Name [?]:
N-[(3-chlorophenyl)methyl]-2-(6-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)NCc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H16ClNO2/c1-12-5-6-16-14(11-22-17(16)7-12)9-18(21)20-10-13-3-2-4-15(19)8-13/h2-8,11H,9-10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,3,4,7,21,11,15,9,2,16,10,20,5,6,12,22,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.83135
Area:530.161
Solvation:-3.42268
Coulombic:-29.1277
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.778
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.97
LogP (Chemaxon):4.4

Name Annotations

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Descriptor Annotations

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