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Chemical ID: 7275247
Chemical ID:
7275247
Name [?]:
3-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILES [?]:
CC(c1ccc(cc1)F)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C15H13ClFNO/c1-10(11-5-7-14(17)8-6-11)18-15(19)12-3-2-4-13(16)9-12/h2-10H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,4,8,5,7,18,2,3,13,17,6,11,19,9,10,12/E:(5,6)(7,8)/rA:19cCCCCCCCCFNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClFNO |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.05032 |
Area: | 467.124 |
Solvation: | -2.62777 |
Coulombic: | -28.2045 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.721 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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