Chemical ID: 5856039

CC(C)C(C(=O)NN=Cc1ccc(cc1)F)NC(=O)c2cccc(c2)Cl
Chemical ID:
5856039
Name [?]:
3-chloro-N-[1-[(4-fluorophenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(cc1)F)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C19H19ClFN3O2/c1-12(2)17(23-18(25)14-4-3-5-15(20)10-14)19(26)24-22-11-13-6-8-16(21)9-7-13/h3-12,17H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,22,21,23,11,15,12,14,25,9,2,10,20,24,13,4,18,5,26,16,8,17,7,19,6/E:(1,2)(6,7)(8,9)/rA:26cCCCCCONNCCCCCCCFNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClFN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.3507
Area:593.822
Solvation:-4.49482
Coulombic:-46.5305
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:375.824
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.13
LogP (Chemaxon):4.23

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