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Chemical ID: 6401421
Chemical ID:
6401421
Name [?]:
N-(2,3-dimethylphenyl)-2-fluoro-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C15H14FNO/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,14,15,4,3,13,16,5,2,7,12,17,6,10,18,9,11/rA:18nCCCCCCCCNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26577 |
Area: | 417.587 |
Solvation: | -3.1739 |
Coulombic: | -25.691 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 243.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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