Chemical ID: 7028915

Cc1ccc(cc1Cl)NC(=O)c2ccc(o2)c3cccc(c3)Cl
Chemical ID:
7028915
Name [?]:
N-(3-chloro-4-methyl-phenyl)-5-(3-chlorophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(o2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H13Cl2NO2/c1-11-5-6-14(10-15(11)20)21-18(22)17-8-7-16(23-17)12-3-2-4-13(19)9-12/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,3,4,14,13,22,6,2,17,21,5,7,15,12,10,23,8,9,11,16/rA:23nCCCCCCCClNCOCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl2NO2
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.7615
Area:553.199
Solvation:-2.06848
Coulombic:-33.3962
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.207
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.12
LogP (Chemaxon):5.0

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