ChemDB: Chemical Search
Download
Chemical ID: 7171909
Chemical ID:
7171909
Name [?]:
N-cycloheptyl-4-(difluoromethoxy)-3-methoxy-benzamide
SMILES [?]:
COc1cc(ccc1OC(F)F)C(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C16H21F2NO3/c1-21-14-10-11(8-9-13(14)22-16(17)18)15(20)19-12-6-4-2-3-5-7-12/h8-10,12,16H,2-7H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,17,22,6,7,4,5,16,8,3,13,10,11,12,15,14,2,9/E:(2,3)(4,5)(6,7)(17,18)/rA:22nCOCCCCCCOCFFCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s10;s5;d13;s13;s15;s16;s17;s18;s19;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21F2NO3 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57082 |
Area: | 488.06 |
Solvation: | -4.63068 |
Coulombic: | -49.4609 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.27 |
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 |
---|