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Chemical ID: 7310341
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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