Chemical ID: 4387144

c1ccc2c(c1)nc(o2)c3cc(ccc3Cl)NC(=O)c4ccc(cc4F)C#N
Chemical ID:
4387144
Name [?]:
N-(3-benzooxazol-2-yl-4-chloro-phenyl)-4-cyano-2-fluoro-benzamide
SMILES [?]:
c1ccc2c(c1)nc(o2)c3cc(ccc3Cl)NC(=O)c4ccc(cc4F)C#N
InChi [?]:
InChI=1/C21H11ClFN3O2/c22-16-8-6-13(25-20(27)14-7-5-12(11-24)9-17(14)23)10-15(16)21-26-18-3-1-2-4-19(18)28-21/h1-10H,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,13,21,14,24,11,27,23,12,20,10,15,25,5,4,18,8,16,26,28,17,7,19,9/rA:28nCCCCCCNCOCCCCCCClNCOCCCCCCFCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;d13;d10s14;s15;s12;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H11ClFN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.87833
Area:591.349
Solvation:-4.90538
Coulombic:-42.1607
Bond Count [?]
All:31
Single:19
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:391.782
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.64
LogP (Chemaxon):5.55

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