Chemical ID: 6611245

c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)Nc3ccc(cc3)N4CCCCC4
Chemical ID:
6611245
Name [?]:
5-(2,3-dichlorophenyl)-N-[4-(1-piperidyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)Nc3ccc(cc3)N4CCCCC4
InChi [?]:
InChI=1/C22H20Cl2N2O2/c23-18-6-4-5-17(21(18)24)19-11-12-20(28-19)22(27)25-15-7-9-16(10-8-15)26-13-2-1-3-14-26/h4-12H,1-3,13-14H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:26,25,27,1,2,6,18,22,19,21,10,11,24,28,17,20,3,5,9,12,4,14,7,8,16,23,15,13/E:(2,3)(7,8)(9,10)(13,14)/rA:28nCCCCCCClClCCCCOCONCCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s10;d11;s9s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20Cl2N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.9255
Area:625.528
Solvation:-2.71269
Coulombic:-39.0716
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:415.312
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.96
LogP (Chemaxon):5.52

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Descriptor Annotations

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