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Chemical ID: 4174940
Chemical ID:
4174940
Name [?]:
N-(2-fluorophenyl)-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C15H14FNO3/c1-19-13-8-7-10(9-14(13)20-2)15(18)17-12-6-4-3-5-11(12)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,15,5,4,7,6,19,14,3,8,11,20,13,12,2,9/rA:20nCOCCCCCCOCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.88288 |
Area: | 455.704 |
Solvation: | -5.50973 |
Coulombic: | -40.1391 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.275 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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