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Chemical ID: 7028759
Chemical ID:
7028759
Name [?]:
5-(2-chlorophenyl)-N-(m-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2ccc(o2)c3ccccc3Cl
InChi [?]:
InChI=1/C18H14ClNO2/c1-12-5-4-6-13(11-12)20-18(21)17-10-9-16(22-17)14-7-2-3-8-15(14)19/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,4,3,5,17,20,13,12,7,2,6,16,21,14,11,9,22,8,10,15/rA:22nCCCCCCCNCOCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4794 |
Area: | 510.348 |
Solvation: | -2.2793 |
Coulombic: | -33.1033 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.762 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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