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Chemical ID: 7270028
Chemical ID:
7270028
Name [?]:
N-(3-fluoro-4-methyl-phenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2ccc(c(c2)F)C
InChi [?]:
InChI=1/C18H20FNO2/c1-13-5-3-6-16(11-13)22-10-4-7-18(21)20-15-9-8-14(2)17(19)12-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,10,3,5,11,17,16,9,7,20,2,18,15,6,19,12,21,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20FNO2 |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68822 |
Area: | 524.817 |
Solvation: | -4.43221 |
Coulombic: | -31.525 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.01 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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