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Chemical ID: 4601953
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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