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Chemical ID: 4783266
Chemical ID:
4783266
Name [?]:
N,5-bis(4-chlorophenyl)-2-methyl-furan-3-carboxamide
SMILES [?]:
Cc1c(cc(o1)c2ccc(cc2)Cl)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13Cl2NO2/c1-11-16(18(22)21-15-8-6-14(20)7-9-15)10-17(23-11)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,12,9,11,19,21,18,22,4,2,7,10,20,17,3,5,14,13,23,16,15,6/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCOCCCCCCClCONCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s10;s3;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1825 |
Area: | 555.764 |
Solvation: | -2.71156 |
Coulombic: | -30.5568 |
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: | 5.03 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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