Chemical ID: 7297053

COc1cc(ccc1OCC(=O)Nc2ccc(cc2)Cl)C#N
Chemical ID:
7297053
Name [?]:
N-(4-chlorophenyl)-2-(4-cyano-2-methoxy-phenoxy)-acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccc(cc2)Cl)C#N
InChi [?]:
InChI=1/C16H13ClN2O3/c1-21-15-8-11(9-18)2-7-14(15)22-10-16(20)19-13-5-3-12(17)4-6-13/h2-8H,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,16,18,15,19,7,4,21,10,5,17,14,8,3,11,20,22,13,12,2,9/E:(3,4)(5,6)/rA:22nCOCCCCCCOCCONCCCCCCClCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s5;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2O3
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.55899
Area:535.629
Solvation:-6.83174
Coulombic:-37.3365
Bond Count [?]
All:23
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.739
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.67
LogP (Chemaxon):2.96

Name Annotations

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Descriptor Annotations

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