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Chemical ID: 6380760
Chemical ID:
6380760
Name [?]:
3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C14H11F2NO/c15-12-6-4-10(5-7-12)9-17-14(18)11-2-1-3-13(16)8-11/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,17,14,16,4,11,12,3,15,5,8,18,7,10,9/E:(4,5)(6,7)/rA:18nCCCCCCFCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11F2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.1774 |
Area: | 425.14 |
Solvation: | -3.45109 |
Coulombic: | -30.7475 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.24 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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