Chemical ID: 5490895

c1cc(cc(c1)NC(=O)COc2ccc(cc2)C(=O)c3ccc(cc3)F)C#N
Chemical ID:
5490895
Name [?]:
N-(3-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)COc2ccc(cc2)C(=O)c3ccc(cc3)F)C#N
InChi [?]:
InChI=1/C22H15FN2O3/c23-18-8-4-16(5-9-18)22(27)17-6-10-20(11-7-17)28-14-21(26)25-19-3-1-2-15(12-19)13-24/h1-12H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,25,14,16,22,24,13,17,4,27,10,3,20,15,23,5,12,8,18,26,28,7,9,19,11/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCCCCCNCOCOCCCCCCCOCCCCCCFCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;s3;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15FN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.64934
Area:608.374
Solvation:-6.56
Coulombic:-44.1342
Bond Count [?]
All:30
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:374.365
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.11
LogP (Chemaxon):4.05

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Descriptor Annotations

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