Chemical ID: 7310341

c1ccc(c(c1)CNC(=O)C=Cc2cccc(c2)F)Cl
Chemical ID:
7310341
Name [?]:
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)-prop-2-enamide
SMILES [?]:
c1ccc(c(c1)CNC(=O)C=Cc2cccc(c2)F)Cl
InChi [?]:
InChI=1/C16H13ClFNO/c17-15-7-2-1-5-13(15)11-19-16(20)9-8-12-4-3-6-14(18)10-12/h1-10H,11H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,6,16,3,12,11,18,7,13,5,17,4,9,20,19,8,10/rA:20nCCCCCCCNCOCCCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClFNO
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.41325
Area:492.7
Solvation:-2.90425
Coulombic:-28.3233
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:289.732
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.19
LogP (Chemaxon):3.97

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