Chemical ID: 6396602

CCCCCC(C)NC(=O)c1cccc(c1)F
Chemical ID:
6396602
Name [?]:
3-fluoro-N-(1-methylhexyl)benzamide
SMILES [?]:
CCCCCC(C)NC(=O)c1cccc(c1)F
InChi [?]:
InChI=1/C14H20FNO/c1-3-4-5-7-11(2)16-14(17)12-8-6-9-13(15)10-12/h6,8-11H,3-5,7H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,2,3,4,13,5,12,14,16,6,11,15,9,17,8,10/rA:17cCCCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20FNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.0151
Area:453.49
Solvation:-2.32216
Coulombic:-27.4585
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.313
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.54
LogP (Chemaxon):3.5

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Descriptor Annotations

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