Chemical ID: 4242654

COc1cccc(c1)NC(=O)c2ccc(o2)c3ccccc3Cl
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

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