Chemical ID: 3898840

CC(=O)Nc1cc(c(cc1OC)NC(=O)c2ccc(cc2)Cl)OC
Chemical ID:
3898840
Name [?]:
N-(4-acetamido-2,5-dimethoxy-phenyl)-4-chloro-benzamide
SMILES [?]:
CC(=O)Nc1cc(c(cc1OC)NC(=O)c2ccc(cc2)Cl)OC
InChi [?]:
InChI=1/C17H17ClN2O4/c1-10(21)19-13-8-16(24-3)14(9-15(13)23-2)20-17(22)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,12,24,17,21,18,20,6,9,2,16,19,5,8,10,7,14,22,4,13,3,15,11,23/E:(4,5)(6,7)/rA:24nCCONCCCCCCOCNCOCCCCCCClOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s7;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.5004
Area:549.325
Solvation:-4.23272
Coulombic:-56.6886
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:348.781
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.28
LogP (Chemaxon):2.44

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