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Chemical ID: 5105226
Chemical ID:
5105226
Name [?]:
4-chloro-N-(2-furylmethyl)-N-[(2,4,6-trichlorophenyl)carbamoylmethyl]benzamide
SMILES [?]:
c1cc(oc1)CN(CC(=O)Nc2c(cc(cc2Cl)Cl)Cl)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H14Cl4N2O3/c21-13-5-3-12(4-6-13)20(28)26(10-15-2-1-7-29-15)11-18(27)25-19-16(23)8-14(22)9-17(19)24/h1-9H,10-11H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,24,28,25,27,5,14,16,6,8,23,26,15,3,13,17,9,12,21,29,19,20,18,11,7,10,22,4/E:(3,4)(5,6)(8,9)(16,17)(23,24)/rA:29nCCCOCCNCCONCCCCCCClClClCOCCCCCCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;s7;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14Cl4N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0887 |
Area: | 652.613 |
Solvation: | -4.22665 |
Coulombic: | -46.0854 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 472.148 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.2 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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