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Chemical ID: 6521579
Chemical ID:
6521579
Name [?]:
2-chloro-N-(3-fluorophenyl)-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)C(C(=O)Nc2cccc(c2)F)Cl
InChi [?]:
InChI=1/C14H11ClFNO/c15-13(10-5-2-1-3-6-10)14(18)17-12-8-4-7-11(16)9-12/h1-9,13H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,14,12,16,4,15,11,7,8,18,17,10,9/E:(2,3)(5,6)/rA:18cCCCCCCCCONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClFNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.87418 |
Area: | 437.853 |
Solvation: | -3.07215 |
Coulombic: | -26.8121 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.694 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.16 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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