ChemDB: Chemical Search
Download
Chemical ID: 6652327
Chemical ID:
6652327
Name [?]:
3-chloro-N-[(4-fluorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)NCC(=O)NN=Cc2ccc(cc2)F
InChi [?]:
InChI=1/C16H13ClFN3O2/c17-13-3-1-2-12(8-13)16(23)19-10-15(22)21-20-9-11-4-6-14(18)7-5-11/h1-9H,10H2,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,4,16,11,17,3,5,20,12,8,7,23,10,15,14,13,9/E:(4,5)(6,7)/rA:23nCCCCCCClCONCCONNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClFN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76985 |
Area: | 545.263 |
Solvation: | -4.86172 |
Coulombic: | -44.8516 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.745 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.95 |
LogP (Chemaxon): | 2.82 |
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 |
---|