Chemical ID: 6652327

c1cc(cc(c1)Cl)C(=O)NCC(=O)NN=Cc2ccc(cc2)F
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

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