Chemical ID: 4804082

COc1ccc(cc1)CN(Cc2ccco2)C(=O)c3ccccc3Cl
Chemical ID:
4804082
Name [?]:
2-chloro-N-(2-furylmethyl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILES [?]:
COc1ccc(cc1)CN(Cc2ccco2)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C20H18ClNO3/c1-24-16-10-8-15(9-11-16)13-22(14-17-5-4-12-25-17)20(23)18-6-2-3-7-19(18)21/h2-12H,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,14,13,20,23,5,7,4,8,15,9,11,6,3,12,19,24,17,25,10,18,2,16/E:(8,9)(10,11)/rA:25nCOCCCCCCCNCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;s12s15;s10;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClNO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.0669
Area:538.241
Solvation:-4.38913
Coulombic:-33.4821
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.815
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.22
LogP (Chemaxon):3.96

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