Chemical ID: 6936069

CCC(CC)NC(=O)c1ccc(cc1)F
Chemical ID:
6936069
Name [?]:
N-(1-ethylpropyl)-4-fluoro-benzamide
SMILES [?]:
CCC(CC)NC(=O)c1ccc(cc1)F
InChi [?]:
InChI=1/C12H16FNO/c1-3-11(4-2)14-12(15)9-5-7-10(13)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,14,11,13,9,12,3,7,15,6,8/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16FNO
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.43992
Area:387.089
Solvation:-2.2373
Coulombic:-26.9435
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.26
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.19
LogP (Chemaxon):2.78

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Descriptor Annotations

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