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Chemical ID: 5911023
Chemical ID:
5911023
Name [?]:
3,5-dichloro-N-(2-furylmethyl)-N-phenethyl-benzamide
SMILES [?]:
c1ccc(cc1)CCN(Cc2ccco2)C(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2NO2/c21-17-11-16(12-18(22)13-17)20(24)23(14-19-7-4-10-25-19)9-8-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,3,5,12,7,8,14,19,23,21,10,4,18,20,22,11,16,25,24,9,17,15/E:(2,3)(5,6)(11,12)(17,18)(21,22)/rA:25nCCCCCCCCNCCCCCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;s11s14;s9;d16;s16;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17Cl2NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2841 |
Area: | 564.717 |
Solvation: | -2.83387 |
Coulombic: | -27.2934 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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