Chemical ID: 7425451

Cc1cc2c(cc1Cl)c(co2)CC(=O)NCc3ccccc3
Chemical ID:
7425451
Name [?]:
N-benzyl-2-(5-chloro-6-methyl-benzofuran-3-yl)-acetamide
SMILES [?]:
Cc1cc2c(cc1Cl)c(co2)CC(=O)NCc3ccccc3
InChi [?]:
InChI=1/C18H16ClNO2/c1-12-7-17-15(9-16(12)19)14(11-22-17)8-18(21)20-10-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,3,12,6,16,10,2,17,9,5,7,4,13,8,15,14,11/E:(3,4)(5,6)/rA:22nCCCCCCCClCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s4s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClNO2
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.8017
Area:524.894
Solvation:-3.32066
Coulombic:-29.0586
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:3.76
LogP (Chemaxon):4.4

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue