Chemical ID: 4255005

c1ccc(c(c1)C(=O)N)OCC(=O)c2ccc(cc2)Br
Chemical ID:
4255005
Name [?]:
2-[2-(4-bromophenyl)-2-oxo-ethoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)N)OCC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C15H12BrNO3/c16-11-7-5-10(6-8-11)13(18)9-20-14-4-2-1-3-12(14)15(17)19/h1-8H,9H2,(H2,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,19,16,18,11,14,17,5,12,4,7,20,9,13,8,10/E:(5,6)(7,8)/rA:20nCCCCCCCONOCCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12BrNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.01457
Area:479.696
Solvation:-5.97784
Coulombic:-40.5514
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.165
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.95
LogP (Chemaxon):2.3

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Descriptor Annotations

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