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Chemical ID: 7061954
Chemical ID:
7061954
Name [?]:
N-(2-benzoylphenyl)-5-(2,5-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)C(=O)c2ccccc2NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl
InChi [?]:
InChI=1/C24H15Cl2NO3/c25-16-10-11-19(26)18(14-16)21-12-13-22(30-21)24(29)27-20-9-5-4-8-17(20)23(28)15-6-2-1-3-7-15/h1-14H,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,3,5,10,13,26,27,20,19,24,4,25,9,23,28,14,21,18,7,16,30,29,15,8,17,22/E:(2,3)(6,7)/rA:30nCCCCCCCOCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H15Cl2NO3 |
All Atoms: | 45 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1309 |
Area: | 650.173 |
Solvation: | -3.12343 |
Coulombic: | -43.313 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 436.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.87 |
LogP (Chemaxon): | 6.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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