Chemical ID: 6322572

CCc1cccc(c1NC(=O)c2ccc(cc2)F)C
Chemical ID:
6322572
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-4-fluoro-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)c2ccc(cc2)F)C
InChi [?]:
InChI=1/C16H16FNO/c1-3-12-6-4-5-11(2)15(12)18-16(19)13-7-9-14(17)10-8-13/h4-10H,3H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,2,5,6,4,13,17,14,16,7,3,12,15,8,10,18,9,11/E:(7,8)(9,10)/rA:19nCCCCCCCCNCOCCCCCCFC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16FNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.17268
Area:434.775
Solvation:-2.6967
Coulombic:-26.5289
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:257.303
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.07
LogP (Chemaxon):3.27

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Descriptor Annotations

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