Chemical ID: 7275506

c1cc(cc(c1)Br)NC(=O)COc2ccc(cc2)C#N
Chemical ID:
7275506
Name [?]:
N-(3-bromophenyl)-2-(4-cyanophenoxy)-acetamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)COc2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H11BrN2O2/c16-12-2-1-3-13(8-12)18-15(19)10-20-14-6-4-11(9-17)5-7-14/h1-8H,10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,17,14,18,4,19,11,16,5,3,13,9,7,20,8,10,12/E:(4,5)(6,7)/rA:20nCCCCCCBrNCOCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11BrN2O2
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.01232
Area:496.955
Solvation:-4.41155
Coulombic:-31.5549
Bond Count [?]
All:21
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.164
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.2
LogP (Chemaxon):3.48

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Descriptor Annotations

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