Chemical ID: 7495024

CCOc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
Chemical ID:
7495024
Name [?]:
N-(3-cyanophenyl)-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C16H14N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)18-14-5-3-4-12(10-14)11-17/h3-10H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,14,6,8,5,9,18,19,17,7,13,4,10,20,12,11,3/E:(6,7)(8,9)/rA:20nCCOCCCCCCCONCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O2
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.79438
Area:485.512
Solvation:-3.34341
Coulombic:-32.9059
Bond Count [?]
All:21
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.05
LogP (Chemaxon):3.01

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Descriptor Annotations

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