Chemical ID: 4406671

Cc1cccc(c1C)NC(=O)c2ccc(o2)c3ccc(cc3)Cl
Chemical ID:
4406671
Name [?]:
5-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(o2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClNO2/c1-12-4-3-5-16(13(12)2)21-19(22)18-11-10-17(23-18)14-6-8-15(20)9-7-14/h3-11H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,18,22,19,21,14,13,2,7,17,20,6,15,12,10,23,9,11,16/E:(6,7)(8,9)/rA:23nCCCCCCCCNCOCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClNO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2837
Area:537.507
Solvation:-2.15398
Coulombic:-33.0815
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.789
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.93
LogP (Chemaxon):4.3

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