Chemical ID: 7263631

CC(=O)Nc1ccc(c(c1)NC(=O)c2ccc(cc2)C#N)OC
Chemical ID:
7263631
Name [?]:
N-(5-acetamido-2-methoxy-phenyl)-4-cyano-benzamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)NC(=O)c2ccc(cc2)C#N)OC
InChi [?]:
InChI=1/C17H15N3O3/c1-11(21)19-14-7-8-16(23-2)15(9-14)20-17(22)13-5-3-12(10-18)4-6-13/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,16,18,15,19,6,7,10,20,2,17,14,5,9,8,12,21,4,11,3,13,22/E:(3,4)(5,6)/rA:23nCCONCCCCCCNCOCCCCCCCNOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;t20;s8;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O3
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.93406
Area:532.614
Solvation:-4.3813
Coulombic:-51.3482
Bond Count [?]
All:24
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.319
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.89
LogP (Chemaxon):1.99

Name Annotations

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Descriptor Annotations

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