Chemical ID: 5783313

COc1ccc(cc1)C=NNC(=O)CNC(=O)c2cccc(c2)F
Chemical ID:
5783313
Name [?]:
3-fluoro-N-[(4-methoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1ccc(cc1)C=NNC(=O)CNC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C17H16FN3O3/c1-24-15-7-5-12(6-8-15)10-20-21-16(22)11-19-17(23)13-3-2-4-14(18)9-13/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,5,7,4,8,23,9,14,6,18,22,3,12,16,24,15,10,11,13,17,2/E:(5,6)(7,8)/rA:24nCOCCCCCCCNNCOCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16FN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.56621
Area:547.217
Solvation:-6.11421
Coulombic:-50.9766
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:329.326
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.24
LogP (Chemaxon):2.05

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