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Chemical ID: 7029075
Chemical ID:
7029075
Name [?]:
N-(3-chloro-4-methyl-phenyl)-5-(4-chlorophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(o2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13Cl2NO2/c1-11-2-7-14(10-15(11)20)21-18(22)17-9-8-16(23-17)12-3-5-13(19)6-4-12/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,18,22,19,21,4,14,13,6,2,17,20,5,7,15,12,10,23,8,9,11,16/E:(3,4)(5,6)/rA:23nCCCCCCCClNCOCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl2NO2 |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7726 |
Area: | 553.898 |
Solvation: | -2.07482 |
Coulombic: | -33.3914 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.207 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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