Chemical ID: 7259116

c1ccc(cc1)C(c2ccccc2)NC(=O)COc3cccc(c3)C#N
Chemical ID:
7259116
Name [?]:
N-benzhydryl-2-(3-cyanophenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)NC(=O)COc3cccc(c3)C#N
InChi [?]:
InChI=1/C22H18N2O2/c23-15-17-8-7-13-20(14-17)26-16-21(25)24-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,22H,16H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,21,22,3,5,9,13,20,24,25,17,23,4,8,19,15,7,26,14,16,18/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/rA:26nCCCCCCCCCCCCCNCOCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O2
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.80896
Area:589.812
Solvation:-4.93634
Coulombic:-34.9673
Bond Count [?]
All:28
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:342.391
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.12
LogP (Chemaxon):4.16

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Descriptor Annotations

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