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Chemical ID: 4242654
Chemical ID:
4242654
Name [?]:
5-(2-chlorophenyl)-N-(3-methoxyphenyl)-furan-2-carboxamide
SMILES [?]:
COc1cccc(c1)NC(=O)c2ccc(o2)c3ccccc3Cl
InChi [?]:
InChI=1/C18H14ClNO3/c1-22-13-6-4-5-12(11-13)20-18(21)17-10-9-16(23-17)14-7-2-3-8-15(14)19/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,5,6,4,18,21,14,13,8,7,3,17,22,15,12,10,23,9,11,2,16/rA:23nCOCCCCCCNCOCCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49325 |
Area: | 527.035 |
Solvation: | -3.68262 |
Coulombic: | -39.4697 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 327.761 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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