Chemical ID: 4242047

CCC(=O)Nc1ccc(c(c1)NC(=O)c2cccc(c2)F)Cl
Chemical ID:
4242047
Name [?]:
N-(2-chloro-5-propanoylamino-phenyl)-3-fluoro-benzamide
SMILES [?]:
CCC(=O)Nc1ccc(c(c1)NC(=O)c2cccc(c2)F)Cl
InChi [?]:
InChI=1/C16H14ClFN2O2/c1-2-15(21)19-12-6-7-13(17)14(9-12)20-16(22)10-4-3-5-11(18)8-10/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,7,8,20,11,15,19,6,9,10,3,13,22,21,5,12,4,14/rA:22nCCCONCCCCCCNCOCCCCCCFCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClFN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.34349
Area:510.186
Solvation:-3.41115
Coulombic:-45.6366
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.746
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.28
LogP (Chemaxon):3.06

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