Chemical ID: 4430644

CCCCC(=O)Nc1ccc(cc1OC)NC(=O)c2ccc(c(c2)Cl)OC
Chemical ID:
4430644
Name [?]:
3-chloro-4-methoxy-N-(3-methoxy-4-pentanoylamino-phenyl)-benzamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1OC)NC(=O)c2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C20H23ClN2O4/c1-4-5-6-19(24)23-16-9-8-14(12-18(16)27-3)22-20(25)13-7-10-17(26-2)15(21)11-13/h7-12H,4-6H2,1-3H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,15,2,3,4,20,10,9,21,24,12,19,11,23,8,22,13,5,17,25,16,7,6,18,26,14/rA:27nCCCCCONCCCCCCOCNCOCCCCCCClOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s22;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23ClN2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1927
Area:634.294
Solvation:-5.66463
Coulombic:-55.9403
Bond Count [?]
All:28
Single:20
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:390.86
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.67
LogP (Chemaxon):3.86

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