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Chemical ID: 6472121
Chemical ID:
6472121
Name [?]:
N-[4-chloro-2-(o-tolylcarbamoyl)phenyl]furan-2-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)c2cc(ccc2NC(=O)c3ccco3)Cl
InChi [?]:
InChI=1/C19H15ClN2O3/c1-12-5-2-3-6-15(12)21-18(23)14-11-13(20)8-9-16(14)22-19(24)17-7-4-10-25-17/h2-11H,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,4,5,22,3,6,21,14,15,23,12,2,13,11,7,16,20,9,18,25,8,17,10,19,24/rA:25nCCCCCCCNCOCCCCCCNCOCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;d20;s21;d22;s20s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7696 |
Area: | 559.34 |
Solvation: | -3.21394 |
Coulombic: | -52.2591 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.787 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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