Chemical ID: 7270028

Cc1cccc(c1)OCCCC(=O)Nc2ccc(c(c2)F)C
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

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Descriptor Annotations

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