Chemical ID: 4155112

Cc1cccc(c1)OCCCC(=O)Nc2ccccc2F
Chemical ID:
4155112
Name [?]:
N-(2-fluorophenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C17H18FNO2/c1-13-6-4-7-14(12-13)21-11-5-10-17(20)19-16-9-3-2-8-15(16)18/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,4,10,3,5,19,16,11,9,7,2,6,20,15,12,21,14,13,8/rA:21nCCCCCCCOCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18FNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.53382
Area:502.698
Solvation:-4.03364
Coulombic:-32.8165
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.329
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.27

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Descriptor Annotations

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