Chemical ID: 4210247

COc1ccc(cc1Br)C(=O)Nc2ccccc2F
Chemical ID:
4210247
Name [?]:
3-bromo-N-(2-fluorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1Br)C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C14H11BrFNO2/c1-19-13-7-6-9(8-10(13)15)14(18)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,5,4,7,6,8,18,13,3,10,9,19,12,11,2/rA:19nCOCCCCCCBrCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrFNO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.67365
Area:449.558
Solvation:-3.56531
Coulombic:-33.9209
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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