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Chemical ID: 4408006
Chemical ID:
4408006
Name [?]:
N-(3-fluorophenyl)-3-propoxy-benzamide
SMILES [?]:
CCCOc1cccc(c1)C(=O)Nc2cccc(c2)F
InChi [?]:
InChI=1/C16H16FNO2/c1-2-9-20-15-8-3-5-12(10-15)16(19)18-14-7-4-6-13(17)11-14/h3-8,10-11H,2,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,7,16,8,17,15,6,3,10,19,9,18,14,5,11,20,13,12,4/rA:20nCCCOCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06738 |
Area: | 477.124 |
Solvation: | -3.86072 |
Coulombic: | -33.5156 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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