Chemical ID: 4421038

CC(C)C(=O)Nc1cccc(c1)NC(=O)c2cccc(c2)F
Chemical ID:
4421038
Name [?]:
3-fluoro-N-[3-(2-methylpropanoylamino)phenyl]-benzamide
SMILES [?]:
CC(C)C(=O)Nc1cccc(c1)NC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C17H17FN2O2/c1-11(2)16(21)19-14-7-4-8-15(10-14)20-17(22)12-5-3-6-13(18)9-12/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,18,9,17,19,8,10,21,12,2,16,20,7,11,4,14,22,6,13,5,15/E:(1,2)/rA:22nCCCCONCCCCCCNCOCCCCCCF/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17FN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.74375
Area:503.797
Solvation:-3.85119
Coulombic:-45.3807
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.328
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.95
LogP (Chemaxon):3.76

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Descriptor Annotations

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