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Chemical ID: 5911160
Chemical ID:
5911160
Name [?]:
N-benzyl-3,4-dichloro-N-(2-furylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccco2)C(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H15Cl2NO2/c20-17-9-8-15(11-18(17)21)19(23)22(13-16-7-4-10-24-16)12-14-5-2-1-3-6-14/h1-11H,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,3,5,11,18,19,13,22,7,9,4,17,10,20,21,15,24,23,8,16,14/E:(2,3)(5,6)/rA:24nCCCCCCCNCCCCCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15Cl2NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5881 |
Area: | 550.147 |
Solvation: | -3.16562 |
Coulombic: | -27.0184 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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