Chemical ID: 5860750

CC(C)C(C(=O)NN=Cc1cccc2c1cccc2)NC(=O)c3ccccc3F
Chemical ID:
5860750
Name [?]:
2-fluoro-N-[2-methyl-1-(1-naphthylmethyleneaminocarbamoyl)propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1cccc2c1cccc2)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C23H22FN3O2/c1-15(2)21(26-22(28)19-12-5-6-13-20(19)24)23(29)27-25-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-15,21H,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,25,26,12,19,13,11,16,24,27,9,2,14,10,15,23,28,4,21,5,29,8,20,7,22,6/E:(1,2)/rA:29cCCCCCONNCCCCCCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22FN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.3697
Area:613.006
Solvation:-4.95543
Coulombic:-46.892
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:391.438
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.77
LogP (Chemaxon):4.72

Name Annotations

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Descriptor Annotations

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