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Chemical ID: 7294784
Chemical ID:
7294784
Name [?]:
N-[(3-chlorophenyl)methyl]-2-fluoro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)F
InChi [?]:
InChI=1/C14H11ClFNO/c15-11-5-3-4-10(8-11)9-17-14(18)12-6-1-2-7-13(12)16/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,14,6,3,16,10,11,15,5,4,7,17,18,9,8/rA:18nCCCCCCCONCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClFNO |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14619 |
Area: | 450.533 |
Solvation: | -3.11714 |
Coulombic: | -27.4314 |
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: | 3.92 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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