Chemical ID: 4149283

CCOC(=O)c1cccc(c1)NC(=O)COc2ccccc2Br
Chemical ID:
4149283
Name [?]:
ethyl 3-[2-(2-bromophenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)COc2ccccc2Br
InChi [?]:
InChI=1/C17H16BrNO4/c1-2-22-17(21)12-6-5-7-13(10-12)19-16(20)11-23-15-9-4-3-8-14(15)18/h3-10H,2,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,8,7,9,21,18,11,15,6,10,22,17,13,4,23,12,14,5,3,16/rA:23nCCOCOCCCCCCNCOCOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrNO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.6897
Area:551.412
Solvation:-5.0956
Coulombic:-48.2576
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.217
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.83
LogP (Chemaxon):3.56

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