Chemical ID: 4210937

COc1ccc(cc1C(=O)Nc2ccccc2F)Br
Chemical ID:
4210937
Name [?]:
5-bromo-N-(2-fluorophenyl)-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)Nc2ccccc2F)Br
InChi [?]:
InChI=1/C14H11BrFNO2/c1-19-13-7-6-9(15)8-10(13)14(18)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,5,4,7,6,8,17,12,3,9,19,18,11,10,2/rA:19nCOCCCCCCCONCCCCCCFBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrFNO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.06124
Area:445.604
Solvation:-4.07887
Coulombic:-32.8812
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.145
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):3.13

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