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Chemical ID: 7085234
Chemical ID:
7085234
Name [?]:
5-(2,4-dichlorophenyl)-N-(4-phenylphenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)NC(=O)c3ccc(o3)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C23H15Cl2NO2/c24-17-8-11-19(20(25)14-17)21-12-13-22(28-21)23(27)26-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-14H,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,23,9,11,22,18,17,25,4,7,24,10,21,26,19,16,14,28,27,13,15,20/E:(2,3)(4,5)(6,7)(9,10)/rA:28nCCCCCCCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H15Cl2NO2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0293 |
Area: | 629.283 |
Solvation: | -2.70272 |
Coulombic: | -34.4603 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.83 |
LogP (Chemaxon): | 6.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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