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Chemical ID: 6636843
Chemical ID:
6636843
Name [?]:
2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCc2cccc(c2)F)Cl
InChi [?]:
InChI=1/C15H13ClFNO/c16-14-7-2-1-6-13(14)15(19)18-9-8-11-4-3-5-12(17)10-11/h1-7,10H,8-9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,6,3,11,10,17,12,16,5,4,7,19,18,9,8/rA:19nCCCCCCCONCCCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClFNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68406 |
Area: | 468.061 |
Solvation: | -3.01747 |
Coulombic: | -27.7965 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.721 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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