Chemical ID: 6850572

Cc1cc(ccc1Cl)OCCCC(=O)Nc2ccccc2F
Chemical ID:
6850572
Name [?]:
4-(4-chloro-3-methyl-phenoxy)-N-(2-fluorophenyl)-butanamide
SMILES [?]:
Cc1cc(ccc1Cl)OCCCC(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C17H17ClFNO2/c1-12-11-13(8-9-14(12)18)22-10-4-7-17(21)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,11,20,17,12,5,6,10,3,2,4,7,21,16,13,8,22,15,14,9/rA:22nCCCCCCCClOCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClFNO2
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.30206
Area:533.278
Solvation:-4.02989
Coulombic:-32.8681
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.774
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.2
LogP (Chemaxon):3.78

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Descriptor Annotations

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