Chemical ID: 4392805

c1cc(ccc1NC(=O)COc2ccc(cc2Cl)Cl)N3CCCC3
Chemical ID:
4392805
Name [?]:
2-(2,4-dichlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)COc2ccc(cc2Cl)Cl)N3CCCC3
InChi [?]:
InChI=1/C18H18Cl2N2O2/c19-13-3-8-17(16(20)11-13)24-12-18(23)21-14-4-6-15(7-5-14)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:22,23,14,1,5,2,4,13,21,24,16,10,15,6,3,17,12,8,19,18,7,20,9,11/E:(1,2)(4,5)(6,7)(9,10)/rA:24nCCCCCCNCOCOCCCCCCClClNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18Cl2N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.61083
Area:577.248
Solvation:-4.82038
Coulombic:-34.5051
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.253
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):4.5

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