Chemical ID: 4601953

c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2cccnc2)F
Chemical ID:
4601953
Name [?]:
2-fluoro-N-(3-pyridylmethyleneaminocarbamoylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2cccnc2)F
InChi [?]:
InChI=1/C15H13FN4O2/c16-13-6-2-1-5-12(13)15(22)18-10-14(21)20-19-9-11-4-3-7-17-8-11/h1-9H,10H2,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,19,21,15,10,16,5,4,11,7,22,20,9,14,13,12,8/rA:22nCCCCCCCONCCONNCCCCCNCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13FN4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.81629
Area:505.904
Solvation:-5.83132
Coulombic:-47.1394
Bond Count [?]
All:23
Single:14
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:300.288
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.08
LogP (Chemaxon):0.99

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Descriptor Annotations

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