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Chemical ID: 4421038
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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