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Chemical ID: 6382129
Chemical ID:
6382129
Name [?]:
2-chloro-N-[(4-fluorophenyl)methyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCc2ccc(cc2)F)Cl
InChi [?]:
InChI=1/C14H11ClFNO/c15-13-4-2-1-3-12(13)14(18)17-9-10-5-7-11(16)8-6-10/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,13,15,10,11,14,5,4,7,18,17,9,8/E:(5,6)(7,8)/rA:18nCCCCCCCONCCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClFNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18268 |
Area: | 441.285 |
Solvation: | -2.84944 |
Coulombic: | -27.7679 |
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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