Chemical ID: 7402636

c1ccc(c(c1)NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)F
Chemical ID:
7402636
Name [?]:
N-(2-fluorophenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)F
InChi [?]:
InChI=1/C16H15FN2O3/c17-10-4-1-2-5-11(10)19-16(22)9-8-14(21)18-12-6-3-7-13(20)15(9)12/h1-2,4-5,9H,3,6-8H2,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:2,1,20,3,6,21,19,11,10,4,5,15,17,12,16,8,22,14,7,18,13,9/rA:22cCCCCCCNCOCCCONCCCOCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;s10d15;s16;d17;s17;s19;s15s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15FN2O3
All Atoms:37
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:6.70159
Area:456.119
Solvation:-4.70139
Coulombic:-49.312
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.3
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.08
LogP (Chemaxon):-0.06

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Experimental Annotations

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Descriptor Annotations

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