Chemical ID: 7357783

c1cc(cc(c1)OCC(=O)Nc2ccc(cc2)C(=O)N)C#N
Chemical ID:
7357783
Name [?]:
4-[2-(3-cyanophenoxy)acetyl]aminobenzamide
SMILES [?]:
c1cc(cc(c1)OCC(=O)Nc2ccc(cc2)C(=O)N)C#N
InChi [?]:
InChI=1/C16H13N3O3/c17-9-11-2-1-3-14(8-11)22-10-15(20)19-13-6-4-12(5-7-13)16(18)21/h1-8H,10H2,(H2,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,16,13,17,4,21,8,3,15,12,5,9,18,22,20,11,10,19,7/E:(4,5)(6,7)/rA:22nCCCCCCOCCONCCCCCCCONCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s3;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3O3
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.40376
Area:519.907
Solvation:-5.59392
Coulombic:-56.4395
Bond Count [?]
All:23
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.293
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.29
LogP (Chemaxon):1.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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