ChemDB: Chemical Search
Download
Chemical ID: 4485991
Chemical ID:
4485991
Name [?]:
methyl 3-(4-fluorobenzoyl)amino-2-methyl-benzoate
SMILES [?]:
Cc1c(cccc1NC(=O)c2ccc(cc2)F)C(=O)OC
InChi [?]:
InChI=1/C16H14FNO3/c1-10-13(16(20)21-2)4-3-5-14(10)18-15(19)11-6-8-12(17)9-7-11/h3-9H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,5,4,6,12,16,13,15,2,11,14,3,7,9,18,17,8,10,19,20/E:(6,7)(8,9)/rA:21nCCCCCCCNCOCCCCCCFCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s3;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39916 |
Area: | 470.93 |
Solvation: | -3.3741 |
Coulombic: | -45.6335 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.61 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|