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Chemical ID: 4361755
Chemical ID:
4361755
Name [?]:
N-(3-chloro-2-methyl-phenyl)-5-(3,4-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2ccc(o2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H12Cl3NO2/c1-10-12(19)3-2-4-15(10)22-18(23)17-8-7-16(24-17)11-5-6-13(20)14(21)9-11/h2-9H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,18,19,14,13,22,2,17,7,20,21,3,15,12,10,8,24,23,9,11,16/rA:24nCCCCCCCClNCOCCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12Cl3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3061 |
Area: | 575.417 |
Solvation: | -2.07937 |
Coulombic: | -33.5381 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.652 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.74 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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