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Chemical ID: 6611245
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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